8-(methylsulfinyl)octyl isothiocyanate
A member of the class of isothiocyanates that is octyl isothiocyanate in which one of the methyl hydrogens at position 8 has been replaced by a methylsulfinyl group.
Also appears inslm
Exact Synonyms
1-isothiocyanato-8-(methylsulfinyl)octane
Related Synonyms
8-MeSO-octyl-NCS
8-methylsulfinyloctyl isothiocyanate
hirsutin
class Information
charge
0
formula
C10H19NOS2
has_dbxref
- CAS:31456-68-5
- HMDB:HMDB0035923
- PMID:10404541
- PMID:11062158
- PMID:21418358
- PMID:24253962
- PMID:24254774
- PMID:25457500
- Reaxys:1708483
has_obo_namespace
chebi_ontology
inchi
InChI=1S/C10H19NOS2/c1-14(12)9-7-5-3-2-4-6-8-11-10-13/h2-9H2,1H3
inchikey
BCRXKWOQVFKZAG-UHFFFAOYSA-N
in_subset
mass
233.397
monoisotopicmass
233.09081
smiles
C(CCCCS(C)=O)CCCN=C=S