2-Phenacylsulfanylacetonitrile

HCID 335019CAS 80737-85-5
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Basic information

Standard SMILES
N#CCSCC(=O)c1ccccc1
InChIKey
ZXNWVZRDLOLZFL-UHFFFAOYSA-N
Molecular formula
C10H9NOS
Average molar mass
191.25 g/mol
Monoisotopic mass
191.04048491

Names & identifiers

Preferred name
2-Phenacylsulfanylacetonitrile
IUPAC
2-phenacylsulfanylacetonitrile

Names & synonyms

2-phenacylsulfanylacetonitrile80737-85-5DTXSID30319253RefChem:265074DTXCID90270376NSC342917phenacylthio-acetonitrileSCHEMBL9008071ZXNWVZRDLOLZFL-UHFFFAOYSA-NNSC-342917[(2-Oxo-2-phenylethyl)sulfanyl]acetonitrile

Database identifiers

CAS
80737-85-5
PubChem CID
335019
DTXSID
DTXSID30319253

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
66.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
13

Related reactions

2 records
New reaction record

Linked notes

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