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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 BUTYL METHYL SULFIDE

SMILES

CCCCSC

InChI

InChIKey=WCXXISMIJBRDQK-UHFFFAOYSA-N
InChI=1S/C5H12S/c1-3-4-5-6-2/h3-5H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C5H12S
Molecular Weight 104.214
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Separation and purification of glucosinolates from crude plant homogenates by high-speed counter-current chromatography.
2003 May 9
The 4-methylthio-1-butyl group for phosphate/thiophosphate protection in oligodeoxyribonucleotide synthesis.
2004 Dec
Isothiocyanate concentration in Kohlrabi (Brassica oleracea L. Var. gongylodes) plants as influenced by sulfur and nitrogen supply.
2008 Sep 24
Three structurally homologous isothiocyanates exert "Janus" characteristics in human HepG2 cells.
2009 Apr
Dynamics of molecular adsorption and rotation on nonequilibrium sites.
2010 Oct 5
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:54:00 GMT 2023
Edited
by admin
on Fri Dec 15 18:54:00 GMT 2023
Record UNII
2N5IMB9XAP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BUTYL METHYL SULFIDE
Systematic Name English
2-THIAHEXANE
Systematic Name English
BUTYL METHYL THIOETHER
Systematic Name English
SULFIDE, BUTYL METHYL
Systematic Name English
1-(METHYLTHIO)BUTANE
Systematic Name English
BUTANE, 1-(METHYLTHIO)-
Systematic Name English
.ALPHA.-(METHYLTHIO)BUTANE
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
211-034-2
Created by admin on Fri Dec 15 18:54:00 GMT 2023 , Edited by admin on Fri Dec 15 18:54:00 GMT 2023
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PUBCHEM
12339
Created by admin on Fri Dec 15 18:54:00 GMT 2023 , Edited by admin on Fri Dec 15 18:54:00 GMT 2023
PRIMARY
EPA CompTox
DTXSID0060852
Created by admin on Fri Dec 15 18:54:00 GMT 2023 , Edited by admin on Fri Dec 15 18:54:00 GMT 2023
PRIMARY
CAS
628-29-5
Created by admin on Fri Dec 15 18:54:00 GMT 2023 , Edited by admin on Fri Dec 15 18:54:00 GMT 2023
PRIMARY
FDA UNII
2N5IMB9XAP
Created by admin on Fri Dec 15 18:54:00 GMT 2023 , Edited by admin on Fri Dec 15 18:54:00 GMT 2023
PRIMARY