Basic information
- CAS
76958-87-7- Standard SMILES
c1ccc(P2(c3ccccc3)=NSN=S=N2)cc1- InChIKey
IALGZRLAAUEWQC-UHFFFAOYSA-N- Molecular formula
- C12H10N3PS2
- Average molar mass
- 291.3 g/mol
- Monoisotopic mass
- 291.00537668
Names & identifiers
- Preferred name
- 5,5-Diphenyl-1,3,2,4,6,5-dithiatriazaphosphine
- IUPAC
- 5,5-diphenyl-1λ4,3-dithia-2,4,6-triaza-5λ5-phosphacyclohexa-1,4,6-triene
Names & synonyms
76958-87-75,5-Diphenyl-1,3,2,4,6,5-dithiatriazaphosphineNSC353679NSC 353679DTXSID40227739NSC-3536795,5-diphenyl-1$l^{4},3-dithia-2,4,6-triaza-5$l^{5}-phosphacyclohexa-1,4,6-triene
Database identifiers
- CAS
76958-87-7- PubChem CID
- 337059
- DTXSID
DTXSID40227739
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 63.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 365
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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