Results for:
PubChem ID: 14289

Isothiocyanatocyclohexane

Mass-Spectra

Compound Details

Synonymous names
Cyclohexyl isothiocyanate
1122-82-3
ISOTHIOCYANATOCYCLOHEXANE
Cyclohexane, isothiocyanato-
Isothiocyanocyclohexane
Cyclohexyl-isothiocyanat
Isothiocyanic acid, cyclohexyl ester
Cyclohexylisothiocyanate
Cyclohexyl isothiocyanate, isothiocyanato-
isothiocyanato-cyclohexane
NSC-60129
Cyclohexyl-isothiocyanat [German]
EINECS 214-361-9
NSC 60129
Cyclohexyl-isothiocyanat [German]
cylcohexyl isothiocyanate
cyclohexane isothiocyanate
WLN: L6TJ ANCS
2UF76U4DED
SCHEMBL330620
Cyclohexyl isothiocyanate, 98%
DTXSID5061532
CHEBI:229386
CYCLOHEXANE,ISOTHIOCYANATO-
Isothiocyanic Acid Cyclohexyl Ester
NSC60129
BBL011352
GEO-00873
MFCD00003841
STL146442
AKOS000120219
MCULE-5106041105
BP-12923
VS-02927
DB-041071
I0187
NS00010669
EN300-20282
D91097
J-670005
J-801004
J-802179
F0001-0272
InChI=1/C7H11NS/c9-6-8-7-4-2-1-3-5-7/h7H,1-5H
Microorganism:

Yes

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
Molweight141.24
LogP3.4
Atoms9
Bonds1
H-bond Acceptor2
H-bond Donor0
Chemical Classificationsulfur compounds isothiocyanates
CHEBI-ID229386
Supernatural-IDSN0239681

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaStaphylococcus AureusAmerican Type Culture CollectionJenkins and Bean 2020
ProkaryotaStaphylococcus EpidermidisAmerican Type Culture CollectionJenkins and Bean 2020
ProkaryotaSphingopyxis Litorisisolate from the algal Chromera velia CCAP 1602/1Koteska et al. 2023
ProkaryotaCoraliitalea Coraliiisolate from the algal Chromera velia CCAP 1602/1Koteska et al. 2023
EukaryotaTrichoderma VirideNAHung et al. 2013
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaStaphylococcus AureusBHI media, LB mediaHS-SPME/GC×GC-TOFMSno
ProkaryotaStaphylococcus EpidermidisBHI mediaHS-SPME/GC×GC-TOFMSno
ProkaryotaSphingopyxis Litorismarine broth agarOSSA/GC-MSno
ProkaryotaCoraliitalea Coraliimarine broth agarOSSA/GC-MSno
EukaryotaTrichoderma VirideMalt extract agar Headspace volatiles collected with colomn/TD-GC-MSyes