(1-Ethyl-6-methylsulfanyl-2-phenyl-4-sulfanylidenepyrimidin-5-yl)-phenylmethanone
Basic information
- CAS
81016-14-0- Standard SMILES
CCn1c(-c2ccccc2)nc(=S)c(C(=O)c2ccccc2)c1SC- InChIKey
COWHCVZQRDUWHK-UHFFFAOYSA-N- Molecular formula
- C20H18N2OS2
- Average molar mass
- 366.5 g/mol
- Monoisotopic mass
- 366.08605555
Names & identifiers
- Preferred name
- (1-Ethyl-6-methylsulfanyl-2-phenyl-4-sulfanylidenepyrimidin-5-yl)-phenylmethanone
- IUPAC
- (1-ethyl-6-methylsulfanyl-2-phenyl-4-sulfanylidenepyrimidin-5-yl)-phenylmethanone
Names & synonyms
81016-14-0DTXSID20320353(1-ethyl-6-methylsulfanyl-2-phenyl-4-sulfanylidenepyrimidin-5-yl)-phenylmethanoneRefChem:204528DTXCID00271475NSC358292NSC-358292[1-Ethyl-6-(methylsulfanyl)-2-phenyl-4-sulfanylidene-1,4-dihydropyrimidin-5-yl](phenyl)methanone
Database identifiers
- CAS
81016-14-0- PubChem CID
- 337966
- DTXSID
DTXSID20320353
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 90.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 585
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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