U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry MIXED
Molecular Formula C12H22O4S2
Molecular Weight 294.431
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,2'-DITHIOBISHEXANOIC ACID

SMILES

CCCCC(SSC(CCCC)C(O)=O)C(O)=O

InChI

InChIKey=MWPDZNLNSAHLMK-UHFFFAOYSA-N
InChI=1S/C12H22O4S2/c1-3-5-7-9(11(13)14)17-18-10(12(15)16)8-6-4-2/h9-10H,3-8H2,1-2H3,(H,13,14)(H,15,16)

HIDE SMILES / InChI

Approval Year

Patents
Name Type Language
ES-914
Preferred Name English
2,2'-DITHIOBISHEXANOIC ACID
Systematic Name English
.ALPHA.,.ALPHA.'-DITHIODICAPROIC ACID
Systematic Name English
2,2'-DISULFOHEXANOIC ACID
Common Name English
HEXANOIC ACID, 2,2'-DITHIODI-
Systematic Name English
HEXANOIC ACID, 2,2'-DITHIOBIS-
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
244-976-8
Created by admin on Mon Mar 31 17:55:56 GMT 2025 , Edited by admin on Mon Mar 31 17:55:56 GMT 2025
PRIMARY
EPA CompTox
DTXSID30945071
Created by admin on Mon Mar 31 17:55:56 GMT 2025 , Edited by admin on Mon Mar 31 17:55:56 GMT 2025
PRIMARY
CAS
22414-91-1
Created by admin on Mon Mar 31 17:55:56 GMT 2025 , Edited by admin on Mon Mar 31 17:55:56 GMT 2025
PRIMARY
PUBCHEM
31174
Created by admin on Mon Mar 31 17:55:56 GMT 2025 , Edited by admin on Mon Mar 31 17:55:56 GMT 2025
PRIMARY
FDA UNII
8UFT3C5WKA
Created by admin on Mon Mar 31 17:55:56 GMT 2025 , Edited by admin on Mon Mar 31 17:55:56 GMT 2025
PRIMARY