3-(Dimethylamino)-5,5-diphenyl-2-sulfanylidene-1,3-thiazinan-4-one
Basic information
- CAS
81468-23-7- Standard SMILES
CN(C)N1C(=O)C(c2ccccc2)(c2ccccc2)CSC1=S- InChIKey
QULLQZASINYVCV-UHFFFAOYSA-N- Molecular formula
- C18H18N2OS2
- Average molar mass
- 342.5 g/mol
- Monoisotopic mass
- 342.08605555
Names & identifiers
- Preferred name
- 3-(Dimethylamino)-5,5-diphenyl-2-sulfanylidene-1,3-thiazinan-4-one
- IUPAC
- 3-(dimethylamino)-5,5-diphenyl-2-sulfanylidene-1,3-thiazinan-4-one
Names & synonyms
81468-23-7NSC3190663-(dimethylamino)-5,5-diphenyl-2-sulfanylidene-1,3-thiazinan-4-oneSCHEMBL10607948DTXSID90317598NSC-319066
Database identifiers
- CAS
81468-23-7- PubChem CID
- 330463
- DTXSID
DTXSID90317598
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 436
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Compound notes
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