Results for:
PubChem ID: 68960

1-isothiocyanato-2-methylpropane

Compound Details

Synonymous names
Isobutyl isothiocyanate
591-82-2
1-Isothiocyanato-2-methylpropane
i-Butyl isothiocyanate
2-Methylpropyl isothiocyanate
Isobutylisothiocyanate
Propane, 1-isothiocyanato-2-methyl-
1-isothiocyanato-2-methyl-propane
Isothiocyanic acid, isobutyl ester
Isothiocyanic Acid Isobutyl Ester
A498ZC6Z4F
CHEMBL3593941
EINECS 209-733-2
BRN 1740371
UNII-A498ZC6Z4F
isobutyl-isothiocyanate
2-methylpropylisothiocyanate
4-04-00-00653 (Beilstein Handbook Reference)
SCHEMBL841951
NSDDRJXKROCWRZ-UHFFFAOYSA-
DTXSID10207846
1-Isothiocyanato-2-methylpropane #
Isobutyl isothiocyanate, AldrichCPR
BBL027869
BDBM50104736
MFCD00022062
STK399808
ISOBUTYL ISOTHIOCYANATE [FHFI]
AKOS000212504
MCULE-8043723276
2-METHYL-1-PROPYL ISOTHIOCYANATE
DB-016590
I0186
NS00022452
Propane, 1-isothiocyanato-2-methyl- (9CI)
EN300-18640
D91096
J-670004
J-801003
Q27273617
Z87001659
InChI=1/C5H9NS/c1-5(2)3-6-4-7/h5H,3H2,1-2H3
Microorganism:

Yes

IUPAC name1-isothiocyanato-2-methylpropane
SMILESCC(C)CN=C=S
InchiInChI=1S/C5H9NS/c1-5(2)3-6-4-7/h5H,3H2,1-2H3
FormulaC5H9NS
PubChem ID68960
Molweight115.2
LogP2.8
Atoms7
Bonds2
H-bond Acceptor2
H-bond Donor0
Chemical Classificationsulfur compounds nitrogen compounds isothiocyanates
Supernatural-IDSN0253810

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBacillus LicheniformisLeibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbHMülner et al. 2020
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBacillus Licheniformisnutrient agarHS-SPME/GC-MSno