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Details

Stereochemistry ACHIRAL
Molecular Formula C8H18O2S2
Molecular Weight 210.357
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of S-Butyl 1-butanesulfonothioate

SMILES

CCCCSS(=O)(=O)CCCC

InChI

InChIKey=JNUPNCDGXZMJRN-UHFFFAOYSA-N
InChI=1S/C8H18O2S2/c1-3-5-7-11-12(9,10)8-6-4-2/h3-8H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C8H18O2S2
Molecular Weight 210.357
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 16:50:54 GMT 2025
Edited
by admin
on Tue Apr 01 16:50:54 GMT 2025
Record UNII
5J7DC24JKT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
S-Butyl 1-butanesulfonothioate
Systematic Name English
S-Butyl butanethiosulfonate
Preferred Name English
1-Butanesulfonothioic acid, S-butyl ester
Systematic Name English
Code System Code Type Description
PUBCHEM
11148515
Created by admin on Tue Apr 01 16:50:54 GMT 2025 , Edited by admin on Tue Apr 01 16:50:54 GMT 2025
PRIMARY
CAS
1118-40-7
Created by admin on Tue Apr 01 16:50:54 GMT 2025 , Edited by admin on Tue Apr 01 16:50:54 GMT 2025
PRIMARY
EPA CompTox
DTXSID90456916
Created by admin on Tue Apr 01 16:50:54 GMT 2025 , Edited by admin on Tue Apr 01 16:50:54 GMT 2025
PRIMARY
FDA UNII
5J7DC24JKT
Created by admin on Tue Apr 01 16:50:54 GMT 2025 , Edited by admin on Tue Apr 01 16:50:54 GMT 2025
PRIMARY