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

Details

Stereochemistry ACHIRAL
Molecular Formula C5H12S
Molecular Weight 104.214
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-PENTANETHIOL

SMILES

CCC(S)CC

InChI

InChIKey=WICKAMSPKJXSGN-UHFFFAOYSA-N
InChI=1S/C5H12S/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3

HIDE SMILES / InChI

Approval Year

PubMed

PubMed

TitleDatePubMed
Name Type Language
3-PENTANETHIOL
Systematic Name English
PENTANE-3-THIOL
Systematic Name English
FEMA NO. 4694
Code English
3-PENTYL MERCAPTAN
Systematic Name English
J100.768H
Code English
Classification Tree Code System Code
JECFA EVALUATION 3-PENTANETHIOL
Created by admin on Sat Dec 16 08:04:22 GMT 2023 , Edited by admin on Sat Dec 16 08:04:22 GMT 2023
Code System Code Type Description
ECHA (EC/EINECS)
210-476-3
Created by admin on Sat Dec 16 08:04:22 GMT 2023 , Edited by admin on Sat Dec 16 08:04:22 GMT 2023
PRIMARY
CAS
616-31-9
Created by admin on Sat Dec 16 08:04:22 GMT 2023 , Edited by admin on Sat Dec 16 08:04:22 GMT 2023
PRIMARY
PUBCHEM
69220
Created by admin on Sat Dec 16 08:04:22 GMT 2023 , Edited by admin on Sat Dec 16 08:04:22 GMT 2023
PRIMARY
EPA CompTox
DTXSID70210598
Created by admin on Sat Dec 16 08:04:22 GMT 2023 , Edited by admin on Sat Dec 16 08:04:22 GMT 2023
PRIMARY
JECFA MONOGRAPH
2060
Created by admin on Sat Dec 16 08:04:22 GMT 2023 , Edited by admin on Sat Dec 16 08:04:22 GMT 2023
PRIMARY
FDA UNII
43Q9692OIT
Created by admin on Sat Dec 16 08:04:22 GMT 2023 , Edited by admin on Sat Dec 16 08:04:22 GMT 2023
PRIMARY