5-Methyl-2-phenyl-2-sulfanylidene-1,3-dihydro-1,3,2lambda5-benzodiazaphosphole
Basic information
- CAS
4600-16-2- Standard SMILES
Cc1ccc2c(c1)NP(=S)(c1ccccc1)N2- InChIKey
NJMKIBUVXYEAGX-UHFFFAOYSA-N- Molecular formula
- C13H13N2PS
- Average molar mass
- 260.3 g/mol
- Monoisotopic mass
- 260.05370659
Names & identifiers
- Preferred name
- 5-Methyl-2-phenyl-2-sulfanylidene-1,3-dihydro-1,3,2lambda5-benzodiazaphosphole
- IUPAC
- 5-methyl-2-phenyl-2-sulfanylidene-1,3-dihydro-1,3,2λ5-benzodiazaphosphole
Names & synonyms
NSC1758384600-16-2DTXSID30306345NSC-1758385-Methyl-2-phenyl-2,3-dihydro-1H-1,3,2lambda~5~-benzodiazaphosphole-2-thione
Database identifiers
- CAS
4600-16-2- PubChem CID
- 300657
- DTXSID
DTXSID30306345
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 56.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 327
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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