Results for:
chemical Classification: Isothiocyanates

1-isothiocyanatobutane

Mass-Spectra

Compound Details

Synonymous names
Butylisothiocyanate
butanisothiocyanate
Butylsenfoel
n-butylisothiocyanate
Butyl isothiocyanate
1-Isothiocyanatobutane
LIMQQADUEULBSO-UHFFFAOYSA-N
n-butyl-isothiocyanate
n-Butyl isothiocyanate
Butyl isothiocyanate, analytical standard
BuNCS
Isothiocyanic Acid Butyl Ester
1-isothiocyanato-butane
1-Isothiocyanatobutane #
AC1L1XQI
Butyl mustard oil
1-butyl isothiocyanate
n-Butyl isothio cyanate
Isothiocyanic acid n-butyl ester
ISOTHIOCYANIC ACID, BUTYL ESTER
Butane,1-isothiocyanato-
AC1Q2WU0
Butyl isothiocyanate, 99%
KM0295
ACMC-1B1E1
V6817
I0249
CTK3I9933
Butane, 1-isothiocyanato-
VZ21323
SCHEMBL152568
Butyl isothiocyanate, United States Pharmacopeia (USP) Reference Standard
LP045642
DTXSID7060467
CHEMBL1814588
SBB060985
NSC194808
OR000384
CHEBI:50534
A832240
ZINC1733350
CJ-06956
4Y31800S6C
TRA0075620
LS-86394
CJ-29478
ANW-33212
KB-48508
MFCD00004824
ZINC01733350
AI3-18424
DB-022994
NSC 194808
NSC-194808
UNII-4Y31800S6C
TR-020572
RTR-020572
ST51047068
J-670003
AKOS000118861
J-801002
FT-0607991
I14-19271
592-82-5
MCULE-3952129182
EINECS 209-770-4
MolPort-000-147-023
137314-EP2371831A1
IUPAC name1-isothiocyanatobutane
SMILESCCCCN=C=S
InchiInChI=1S/C5H9NS/c1-2-3-4-6-5-7/h2-4H2,1H3
FormulaC5H9NS
PubChem ID11613
Molweight115.19
LogP2.39
Atoms16
Bonds15
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationIsothiocyanates sulfur compounds nitrogen containing compounds

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiTuber 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
FungiTuber BorchiiYes


Isothiocyanatocyclohexane

Mass-Spectra

Compound Details

Synonymous names
Cyclohexylisothiocyanate
cyclohexanisothiocyanate
ISOTHIOCYANATOCYCLOHEXANE
Isothiocyanocyclohexane
isothiocyanato-cyclohexane
cyclohexyl-isothiocyanate
Cyclohexyl isothiocyanate
cyclohexane isothiocyanate
Cyclohexyl-isothiocyanat
1-isothiocyanatocyclohexane
Isothiocyanic Acid Cyclohexyl Ester
CYCLOHEXANE,ISOTHIOCYANATO-
MZSJGCPBOVTKHR-UHFFFAOYSA-N
Cyclohexyl isothiocyanate, isothiocyanato-
Isothiocyanic acid, cyclohexyl ester
Cyclohexane, isothiocyanato-
AC1Q7EYA
Cyclohexyl-isothiocyanat [German]
Cyclohexyl isothiocyanate, 98%
AC1L23IN
ACMC-1BOK5
Cyclohexyl-isothiocyanat [German]
8926AC
I0187
WLN: L6TJ ANCS
SCHEMBL330620
NSC60129
ZINC160592
DTXSID5061532
STL146442
SBB014110
OR202654
OR011047
BBL011352
ZB007404
Y-8630
ANW-16440
GEO-00873
KB-49232
LS-86409
NSC 60129
NSC-60129
BP-12923
ZERO/008328
MFCD00003841
BB_SC-6543
ZINC00160592
TR-002406
ST50214556
DB-041071
J-670005
AKOS000120219
J-802179
J-801004
FT-0624205
I14-21617
F0001-0272
1122-82-3
MCULE-5106041105
EINECS 214-361-9
MolPort-000-147-098
InChI=1/C7H11NS/c9-6-8-7-4-2-1-3-5-7/h7H,1-5H
IUPAC nameisothiocyanatocyclohexane
SMILESC1CCC(CC1)N=C=S
InchiInChI=1S/C7H11NS/c9-6-8-7-4-2-1-3-5-7/h7H,1-5H2
FormulaC7H11NS
PubChem ID14289
Molweight141.23
LogP2.87
Atoms20
Bonds20
H-bond Acceptor1
H-bond Donor0
Chemical Classificationisothiocyanates sulfur compounds nitrogen compounds

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiTrichoderma VirideHung et al., 2013
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiTrichoderma VirideMalt extract agar Headspace volatiles collected with colomn/TD-GC-MSYes