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

Details

Stereochemistry ACHIRAL
Molecular Formula C4H10S
Molecular Weight 90.187
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL PROPYL SULPHIDE

SMILES

CCCSC

InChI

InChIKey=ZOASGOXWEHUTKZ-UHFFFAOYSA-N
InChI=1S/C4H10S/c1-3-4-5-2/h3-4H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C4H10S
Molecular Weight 90.187
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Simple physics-based analytical formulas for the potentials of mean force for the interaction of amino acid side chains in water. IV. Pairs of different hydrophobic side chains.
2008 Sep 11
Three structurally homologous isothiocyanates exert "Janus" characteristics in human HepG2 cells.
2009 Apr
Substance Class Chemical
Created
by admin
on Fri Dec 15 20:24:07 GMT 2023
Edited
by admin
on Fri Dec 15 20:24:07 GMT 2023
Record UNII
NXA8RQ27B3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL PROPYL SULPHIDE
Systematic Name English
PROPYL METHYL SULFIDE
Systematic Name English
SULFIDE, METHYL PROPYL
Systematic Name English
METHYL PROPYL SULFIDE
Systematic Name English
1-(METHYLTHIO)PROPANE
Systematic Name English
FEMA NO. 4889
Code English
PROPANE, 1-(METHYLTHIO)-
Systematic Name English
2-THIAPENTANE
Systematic Name English
Code System Code Type Description
FDA UNII
NXA8RQ27B3
Created by admin on Fri Dec 15 20:24:07 GMT 2023 , Edited by admin on Fri Dec 15 20:24:07 GMT 2023
PRIMARY
CAS
3877-15-4
Created by admin on Fri Dec 15 20:24:07 GMT 2023 , Edited by admin on Fri Dec 15 20:24:07 GMT 2023
PRIMARY
PUBCHEM
19754
Created by admin on Fri Dec 15 20:24:07 GMT 2023 , Edited by admin on Fri Dec 15 20:24:07 GMT 2023
PRIMARY
EPA CompTox
DTXSID9073969
Created by admin on Fri Dec 15 20:24:07 GMT 2023 , Edited by admin on Fri Dec 15 20:24:07 GMT 2023
PRIMARY
ECHA (EC/EINECS)
223-403-5
Created by admin on Fri Dec 15 20:24:07 GMT 2023 , Edited by admin on Fri Dec 15 20:24:07 GMT 2023
PRIMARY