Basic information
- CAS
73713-81-2- Standard SMILES
Cc1ccc2c(c1)SP(=S)(c1ccccc1)N2- InChIKey
SGNNWCGXIXCYNI-UHFFFAOYSA-N- Molecular formula
- C13H12NPS2
- Average molar mass
- 277.3 g/mol
- Monoisotopic mass
- 277.01487873
Names & identifiers
- Preferred name
- 1,3,2-Benzothiazaphospholine, 6-methyl-2-phenyl-, 2-sulfide
- IUPAC
- 6-methyl-2-phenyl-2-sulfanylidene-3H-1,3,2λ5-benzothiazaphosphole
- English name
- 2,3-Dihydro-6-methyl-2-phenyl-1,3,2-benzothiazaphosphole 2-sulfide
- Molecular formula
- C13H12NPS2
- Molecular weight
- 277.34
Names & synonyms
73713-81-26-Methyl-2,3-dihydro-2-phenyl-1H-1,3,2-benzothiazaphosphole-2-sulfideY6H27H83CY1,3,2-Benzothiazaphospholine, 6-methyl-2-phenyl-, 2-sulfideNSC-1002911,3,2-Benzothiazaphosphole, 2,3-dihydro-6-methyl-2-phenyl-, 2-sulfideRefChem:1052467NSC 100291NSC100291UNII-Y6H27H83CYDTXSID6013848576-Methyl-2,3,2-benzothiazaphosphole-2-sulfide
Show more names
2,3-Dihydro-6-methyl-2-phenyl-1,3,2-benzothiazaphosphole 2-sulfide
1,2-Benzothiazaphospholine, 6-methyl-2-phenyl-, 2-sulfide1,2-Benzothiazaphosphole, 2,3-dihydro-6-methyl-2-phenyl-, 2-sulfide6-methyl-2-phenyl-2-sulfanylidene-3H-1,3,2lambda5-benzothiazaphosphole
Database identifiers
- CAS
73713-81-2- PubChem CID
- 97107
- DTXSID
DTXSID601384857- UNII
- Y6H27H83CY
- Nikkaji
- J65.518J
Properties
Computed structural properties
- XLogP
- 5
- 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
- 327
Physicochemical properties
- FDA UNII
- 6 H27H83CY · Y6H27H83CY
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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