3,5-Dimethyl-1-benzenecarbonyl isothiocyanate

HCID 16775643
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Basic information

Standard SMILES
Cc1cc(C)cc(C(=O)N=C=S)c1
InChIKey
FXXDXCMZHCIVOZ-UHFFFAOYSA-N
Molecular formula
C10H9NOS
Average molar mass
191.25 g/mol

Names & identifiers

Preferred name
3,5-Dimethyl-1-benzenecarbonyl isothiocyanate
IUPAC
3,5-dimethylbenzoyl isothiocyanate

Names & synonyms

SCHEMBL5825205FXXDXCMZHCIVOZ-UHFFFAOYSA-NAKOS0001319033,5-Dimethyl-1-benzenecarbonyl isothiocyanate

Database identifiers

PubChem CID
16775643
Nikkaji
J743.610F

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
61.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
13

Related reactions

3 records
New reaction record

Compound notes

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