benzylisothiocyanate

Chemical Formula:

C₈H₇NS

Molecular Weight:

149.21 Daltons

Monoisotopic Mass:

149.0299199199 Daltons

SMILES:

C(C1(C=CC=CC=1))N=C=S

InChI:

1S/C8H7NS/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2

InChIKey:

MDKCFLQDBWCQCV-UHFFFAOYSA-N

Databases

MetaCyc: BENZYL-ISOTHIOCYANATE

HMDB: HMDB33969

ChemSpider: 2256

PubChem (CID): 2346

ChEBI: 17484

KEGG: C03098

NCI: 118976

CAS: 622-78-6

RefMet: Benzyl isothiocyanate

Seed: cpd01989

MetaNetX: MNXM3923