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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H26O2S2
Molecular Weight 266.464
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,2'-(Octane-1,8-diylbis(thio))bisethanol

SMILES

OCCSCCCCCCCCSCCO

InChI

InChIKey=RFWDYENQLCEITI-UHFFFAOYSA-N
InChI=1S/C12H26O2S2/c13-7-11-15-9-5-3-1-2-4-6-10-16-12-8-14/h13-14H,1-12H2

HIDE SMILES / InChI

Molecular Formula C12H26O2S2
Molecular Weight 266.464
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:04:58 GMT 2025
Edited
by admin
on Tue Apr 01 19:04:58 GMT 2025
Record UNII
UJX4FC5EWK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,2'-(Octane-1,8-diylbis(thio))bisethanol
Systematic Name English
2,2?-[1,8-Octanediylbis(thio)]bis[ethanol]
Preferred Name English
Ethanol, 2,2?-[1,8-octanediylbis(thio)]bis-
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
261-347-3
Created by admin on Tue Apr 01 19:04:58 GMT 2025 , Edited by admin on Tue Apr 01 19:04:58 GMT 2025
PRIMARY
CAS
58593-33-2
Created by admin on Tue Apr 01 19:04:58 GMT 2025 , Edited by admin on Tue Apr 01 19:04:58 GMT 2025
PRIMARY
PUBCHEM
94118
Created by admin on Tue Apr 01 19:04:58 GMT 2025 , Edited by admin on Tue Apr 01 19:04:58 GMT 2025
PRIMARY
FDA UNII
UJX4FC5EWK
Created by admin on Tue Apr 01 19:04:58 GMT 2025 , Edited by admin on Tue Apr 01 19:04:58 GMT 2025
PRIMARY
EPA CompTox
DTXSID20207312
Created by admin on Tue Apr 01 19:04:58 GMT 2025 , Edited by admin on Tue Apr 01 19:04:58 GMT 2025
PRIMARY