Results for:
PubChem ID: 11613

1-isothiocyanatobutane

Mass-Spectra

Compound Details

Synonymous names
Butyl isothiocyanate
592-82-5
1-Isothiocyanatobutane
n-Butyl isothiocyanate
Butane, 1-isothiocyanato-
1-butyl isothiocyanate
Butylisothiocyanate
ISOTHIOCYANIC ACID, BUTYL ESTER
NSC 194808
Isothiocyanic acid n-butyl ester
1-isothiocyanato-butane
CHEBI:50534
MFCD00004824
4Y31800S6C
NSC-194808
EINECS 209-770-4
Butylsenfoel
AI3-18424
UNII-4Y31800S6C
BuNCS
n-butylisothiocyanate
n-butyl-isothiocyanate
n-Butyl isothio cyanate
1-Isothiocyanatobutane #
Butyl isothiocyanate, 8CI
Butyl isothiocyanate, 99%
SCHEMBL152568
Isothiocyanic Acid Butyl Ester
CHEMBL1814588
DTXSID7060467
FEMA NO. 4082
BUTYL ISOTHIOCYANATE [FHFI]
NSC194808
BUTYL ISOTHIOCYANATE [USP-RS]
AKOS000118861
MCULE-3952129182
Butyl isothiocyanate, analytical standard
DB-022994
I0249
NS00022461
EN300-19446
D91107
A832240
J-670003
J-801002
Q27122105
F1915-0013
Z104473876
Butyl isothiocyanate, United States Pharmacopeia (USP) Reference Standard
Microorganism:

No

IUPAC name1-isothiocyanatobutane
SMILESCCCCN=C=S
InchiInChI=1S/C5H9NS/c1-2-3-4-6-5-7/h2-4H2,1H3
FormulaC5H9NS
PubChem ID11613
Molweight115.2
LogP2.9
Atoms7
Bonds3
H-bond Acceptor2
H-bond Donor0
Chemical Classificationisothiocyanates sulfur compounds nitrogen compounds
CHEBI-ID50534
Supernatural-IDSN0206396

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaTuber BorchiiT. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China). Splivallo et al. 2007b
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaTuber Borchiiyes