O-(2-methylsulfanylpyrimidin-4-yl) N,N-dimethylcarbamothioate
Basic information
- CAS
13522-74-2- Standard SMILES
CSc1nccc(OC(=S)N(C)C)n1- InChIKey
XCZRQKNFCVPWNX-UHFFFAOYSA-N- Molecular formula
- C8H11N3OS2
- Average molar mass
- 229.3 g/mol
- Monoisotopic mass
- 229.03435433
Names & identifiers
- Preferred name
- O-(2-methylsulfanylpyrimidin-4-yl) N,N-dimethylcarbamothioate
- IUPAC
- O-(2-methylsulfanylpyrimidin-4-yl) N,N-dimethylcarbamothioate
Names & synonyms
13522-74-2O-(2-methylsulfanylpyrimidin-4-yl) N,N-dimethylcarbamothioateNSC171706DTXSID50305810NSC-171706O-[2-(methylsulfanyl)pyrimidin-4-yl] dimethylcarbamothioate
Database identifiers
- CAS
13522-74-2- PubChem CID
- 299235
- DTXSID
DTXSID50305810
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 95.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 201
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Compound notes
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