3-(2-Methylphenyl)propanoyl isothiocyanate

HCID 21890701
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Basic information

Standard SMILES
Cc1ccccc1CCC(=O)N=C=S
InChIKey
LRXZEWVMOSATCP-UHFFFAOYSA-N
Molecular formula
C11H11NOS
Average molar mass
205.28 g/mol

Names & identifiers

Preferred name
3-(2-Methylphenyl)propanoyl isothiocyanate
IUPAC
3-(2-methylphenyl)propanoyl isothiocyanate

Names & synonyms

SCHEMBL5824440LRXZEWVMOSATCP-UHFFFAOYSA-NAKOS0116513483-(2-methylphenyl)propanoyl isothiocyanate

Database identifiers

PubChem CID
21890701

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
61.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
14

Related reactions

4 records
New reaction record

Compound notes

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