4-{(E)-[(4-Methylphenyl)methylidene]amino}benzene-1-carbothioamide
Basic information
- CAS
64510-96-9- Standard SMILES
Cc1ccc(C=Nc2ccc(C(N)=S)cc2)cc1- InChIKey
ZTANUOSJFOYWIK-UHFFFAOYSA-N- Molecular formula
- C15H14N2S
- Average molar mass
- 254.4 g/mol
- Monoisotopic mass
- 254.08776963
Names & identifiers
- Preferred name
- 4-{(E)-[(4-Methylphenyl)methylidene]amino}benzene-1-carbothioamide
- IUPAC
- 4-[(4-methylphenyl)methylideneamino]benzenecarbothioamide
Names & synonyms
64510-96-9NSC259253DTXSID404086824-{(E)-[(4-Methylphenyl)methylidene]amino}benzene-1-carbothioamideNSC-259253DS-006854BENZENECARBOTHIOAMIDE,4-[[(4-METHYLPHENYL)METHYLENE]AMINO]-
Database identifiers
- CAS
64510-96-9- PubChem CID
- 5138532
- DTXSID
DTXSID40408682
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 70.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 298
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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