No description has been provided for this image

Links: Navigator Page | Chemical Index | State Index | Operator Index


openFF logo

Open-FF

194041-65-1
Sodium 2,5-dioxo-1-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}oxy)pyrrolidine-3-sulfonate


Molecular structure of 194041-65-1

This file was generated on April 21, 2025
from data repository: openFF_data_2025_04_20.

FracTracker logo

Sponsored by FracTracker Alliance


Open-FF Chemical Report¶

This is a script-generated report about a specific chemical used in the Hydraulic Fracking industry. The source of these data is the industry-sponsored website FracFocus, but are analyzed by the independent project Open-FF.

Molecule images courtesy of CompTox. Disclosures before 2011 are not included.

Table of Contents¶

  • General information about the chemical
  • General usage within FracFocus & where those records occur
  • Detailed usage for all records
    • Uses by percentage of the fracking fluid
    • Uses by mass
  • Companies supplying and using this chemical
  • Patterns of use
  • Disclosures list of biggest 100 uses with map links
  • Tables of raw Names, CAS Numbers and Trade names associated with this chemical

Names for "194041-65-1":¶

Source Name
SciFinder primary name: 1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-, 2,5-dioxo-3-sulfo-1-pyrrolidinyl ester, sodium salt (1:1), (3aS,4S,6aR)-
EPA - preferred name: Sodium 2,5-dioxo-1-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}oxy)pyrrolidine-3-sulfonate
IUPAC name: ** **
Most frequently used name in FF: d-biotin ,usp

See table of raw names for other names used for this material

Summary from EPA's ChemInformatics¶

For more detailed information, see the ChemInformatics web site

No ChemInformatics analysis available¶

Important: Please do NOT infer that the absence of an EPA analysis here implies this chemical is not hazardous. Many fracking materials are not quantified for toxicity because they are still poorly studied or are a mix of unknown or variable composition (even though the constituents are likely to be toxic).

Elsner and Hoelzer Structural Groupings¶

We adopt a classification scheme based on the work of Elsner and Hoelzer (2016), which organizes chemicals primarily by their core molecular structure and key functional groups, organizing by large classes such as Alcohols and Inorganic Chemicals. Within most of these broad classes, chemicals are further grouped into subgroups sharing more specific structural similarities. See an overview and index of these groups and their details.

For FracFocus materials that were not classified in Elsner and Hoelzer (2016), we used a chatGPT reasoning model to assign an appropriate Elsner and Hoelzer classification. If that was necessary, the model's justification for its classification is given below.

Level 1: Organosulfonates and -sulfates --- Level 2: organosulfonates¶
ChatGPT justification for classifying decision:¶
**FG** Organosulfonates and -sulfates;organosulfonates

The chemical in question contains a sulfonate group (`3-sulfo-1-pyrrolidinyl ester`) and is present as a sodium salt. These features are characteristic of organosulfonates, which are organic compounds containing sulfonate groups. Given the presence of the sulfonate functionality within the molecular structure, the most appropriate classification falls under **Organosulfonates and -sulfates;organosulfonates**.

General frequency of use¶

Unfiltered data set Filtered data set with calculated mass
Num disclosures 147 147 103*
% of disclosures 0.078% 0.0804% 0.0564%

*See below for list of companies not reporting enough info for mass calculations

Where this material has been reported¶

FracFocus records that have conflicting or non-standard location data are not included in this map. This includes many records in Alaska.

Detailed Uses¶

Each "use" below represents a single record in a disclosure, that is, a single line. A given disclosure may have more than one record of a particular chemical.

Using all filtered data for this chemical.

Uses by percent of the fracking job¶

This measure roughly shows a comparison of the concentration of the chemical in the whole fracking job (including the base fluid which is typically over 80%). Only the disclosures where the sum of PercentHFJob is within 5% of 100% are considered "valid."

No description has been provided for this image
Number of records with valid percentage data (shown by blue circles): 112¶
Number of records without valid percentage data (shown by orange bars): 35¶

PERCENTILES:
 -- 25%:  1e-07 percent
 -- 50%:  3e-07 percent
 -- 75%:  4e-07 percent
 -- max:  1.1e-06 percent

No description has been provided for this image

Uses by mass¶

This measure shows a comparison of the absolute quantity of a chemical used in a fracking job.

No description has been provided for this image

Number of records with a mass (blue circles): 103

Number of records without a calculable mass (orange bars): 44


mass PERCENTILES:
 (represented by lines in the figure)
 -- 25%:  0 pounds
 -- 50%:  0 pounds
 -- 75%:  0 pounds
 -- 95%:  0 pounds
 -- 99%:  0 pounds
 -- max:  0 pounds

No description has been provided for this image

Companies¶

Top companies using or supplying this material

No description has been provided for this image

Which suppliers are most frequently named for this chemical?¶

The field reported below is bgSupplier.

No description has been provided for this image

Which primarySuppliers are most frequently associated with this chemical?¶

The primarySupplier is a disclosure-level value and is not necessarily related to a given chemical record. Nevertheless, it indicates the supplier with the most records in a fracking job.

No description has been provided for this image

Total mass reported by operator: Who uses the biggest quantity?¶

The field reported below is bgOperator.

No description has been provided for this image

Total mass reported by primarySupplier - biggest associations¶

No description has been provided for this image



Patterns of use¶

Across some of the larger operators¶

No description has been provided for this image

Across some of the primarySuppliers¶

No description has been provided for this image



Disclosures with the 100 largest uses¶

mass massSource APINumber (FF link) bgStateName bgCountyName bgOperatorName TotalBaseWaterVolume date primarySupplier bgSupplier TradeName_trunc
Loading ITables v2.2.2 from the init_notebook_mode cell... (need help?)



Raw fields for this chemical¶

These are the fields in the raw FracFocus data as they are entered for the records positively identified as this chemical. These raw fields often have typos, variations on a chemical name, etc. In some cases, two variations may seem identical, but probably differ by non-printing characters.

Raw CASNumber variations encountered for this chemical¶

CASNumber Number of records Operators primarySuppliers
Loading ITables v2.2.2 from the init_notebook_mode cell... (need help?)

Raw IngredientName variations encountered for this chemical¶

IngredientName Number of records Operators primarySuppliers
Loading ITables v2.2.2 from the init_notebook_mode cell... (need help?)

Raw TradeName variations encountered for this chemical¶

Names truncated to 30 characters before processing

TradeName_trunc Number of records Operators primarySuppliers bgSupplier
Loading ITables v2.2.2 from the init_notebook_mode cell... (need help?)

Raw Purpose variations encountered for this chemical¶

Values truncated to 30 characters before processing

Purp_trunc Number of records Operators primarySuppliers bgSupplier
Loading ITables v2.2.2 from the init_notebook_mode cell... (need help?)



Operators not reporting enough data for mass calculations for this chemical¶

Shown are operators and how many records without mass, as well as the types of information missing or in error for each company. In addition, not all disclosures are curated by Open-FF yet.

Operator records without mass % carrier not curated % without TBWV % no water carrier record % total percent out of tolerance % no PercentHFJob
Loading ITables v2.2.2 from the init_notebook_mode cell... (need help?)