4-Methyl-N-(triphenyl-lambda~5~-phosphanylidene)benzene-1-carbothioamide
Basic information
- CAS
71315-93-0- Standard SMILES
Cc1ccc(C(=S)N=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1- InChIKey
JZFOBIMREGMZGH-UHFFFAOYSA-N- Molecular formula
- C26H22NPS
- Average molar mass
- 411.5 g/mol
- Monoisotopic mass
- 411.12105788
Names & identifiers
- Preferred name
- 4-Methyl-N-(triphenyl-lambda~5~-phosphanylidene)benzene-1-carbothioamide
- IUPAC
- 4-methyl-N-(triphenyl-λ5-phosphanylidene)benzenecarbothioamide
Names & synonyms
71315-93-0NSC304401DTXSID603165334-Methyl-N-(triphenyl-lambda~5~-phosphanylidene)benzene-1-carbothioamideNSC-304401
Database identifiers
- CAS
71315-93-0- PubChem CID
- 327783
- DTXSID
DTXSID60316533
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 521
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Compound notes
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