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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
Dynamics of molecular adsorption and rotation on nonequilibrium sites.
2010-10-05
Three structurally homologous isothiocyanates exert "Janus" characteristics in human HepG2 cells.
2009-04
Isothiocyanate concentration in Kohlrabi (Brassica oleracea L. Var. gongylodes) plants as influenced by sulfur and nitrogen supply.
2008-09-24
Linking metabolic QTLs with network and cis-eQTLs controlling biosynthetic pathways.
2007-09
Identification of a flavin-monooxygenase as the S-oxygenating enzyme in aliphatic glucosinolate biosynthesis in Arabidopsis.
2007-06
Volatile profiling of Arabidopsis thaliana - putative olfactory compounds in plant communication.
2005-08
The 4-methylthio-1-butyl group for phosphate/thiophosphate protection in oligodeoxyribonucleotide synthesis.
2004-12
Effects of glucosinolates and their enzymatic hydrolysis products via myrosinase on the root-knot nematode Meloidogyne incognita (Kofoid et White) Chitw.
2004-11-03
Thermolytic 4-methylthio-1-butyl group for phosphate/thiophosphate protection in solid-phase synthesis of DNA oligonucleotides.
2004-04-02
Separation and purification of glucosinolates from crude plant homogenates by high-speed counter-current chromatography.
2003-05-09
Identification of the major glucosinolate (4-mercaptobutyl glucosinolate) in leaves of Eruca sativa L. (salad rocket).
2002-09
Glucosinolate content and isothiocyanate evolution--two measures of the biofumigation potential of plants.
2001-11
Substance Class Chemical
Created
by admin
on Mon Mar 31 19:25:00 GMT 2025
Edited
by admin
on Mon Mar 31 19:25:00 GMT 2025
Record UNII
2N5IMB9XAP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BUTYL METHYL SULFIDE
Systematic Name English
.ALPHA.-(METHYLTHIO)BUTANE
Preferred 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
Code System Code Type Description
ECHA (EC/EINECS)
211-034-2
Created by admin on Mon Mar 31 19:25:00 GMT 2025 , Edited by admin on Mon Mar 31 19:25:00 GMT 2025
PRIMARY
PUBCHEM
12339
Created by admin on Mon Mar 31 19:25:00 GMT 2025 , Edited by admin on Mon Mar 31 19:25:00 GMT 2025
PRIMARY
EPA CompTox
DTXSID0060852
Created by admin on Mon Mar 31 19:25:00 GMT 2025 , Edited by admin on Mon Mar 31 19:25:00 GMT 2025
PRIMARY
CAS
628-29-5
Created by admin on Mon Mar 31 19:25:00 GMT 2025 , Edited by admin on Mon Mar 31 19:25:00 GMT 2025
PRIMARY
FDA UNII
2N5IMB9XAP
Created by admin on Mon Mar 31 19:25:00 GMT 2025 , Edited by admin on Mon Mar 31 19:25:00 GMT 2025
PRIMARY