Basic information
- CAS
73713-80-1- Standard SMILES
S=P1(c2ccccc2)Nc2cc(Cl)ccc2S1- InChIKey
MEIXQUBZUCFTLE-UHFFFAOYSA-N- Molecular formula
- C12H9ClNPS2
- Average molar mass
- 297.8 g/mol
- Monoisotopic mass
- 296.9602563
Names & identifiers
- Preferred name
- 1,3,2-Benzothiazaphospholine, 5-chloro-2-phenyl-, 2-sulfide
- IUPAC
- 5-chloro-2-phenyl-2-sulfanylidene-3H-1,3,2λ5-benzothiazaphosphole
- English name
- 5-Chloro-2,3-dihydro-2-phenyl-1,3,2-benzothiazaphosphole 2-sulfide
- Molecular formula
- C12H9ClNPS2
- Molecular weight
- 297.76
Names & synonyms
73713-80-11,3,2-Benzothiazaphospholine, 5-chloro-2-phenyl-, 2-sulfideRefChem:1052466NSC 100292NSC1002921,3,2-Benzothiazaphosphole, 5-chloro-2,3-dihydro-2-phenyl-, 2-sulfide5-Chloro-2,3-dihydro-2-phenyl-1H-1,3,2-benzothiazaphosphole-2-sulfideDTXSID301384858NSC-1002925-Chloro-2,3,2-benzothiazaphosphole-2-sulfide1,2-Benzothiazaphospholine, 5-chloro-2-phenyl-, 2-sulfide1,2-Benzothiazaphosphole, 5-chloro-2,3-dihydro-2-phenyl-, 2-sulfide
Show more names
5-Chloro-2,3-dihydro-2-phenyl-1,3,2-benzothiazaphosphole 2-sulfide
Database identifiers
- CAS
73713-80-1- PubChem CID
- 97108
- DTXSID
DTXSID301384858- Nikkaji
- J65.517A
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 332
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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