Methyl 6-oxo-2-sulfanylidene-1,2,3,6-tetrahydropyrimidine-4-carboxylate
Basic information
- CAS
6339-80-6- Standard SMILES
COC(=O)c1cc(=O)[nH]c(=S)[nH]1- InChIKey
OQZGKDPAOBQSGZ-UHFFFAOYSA-N- Molecular formula
- C6H6N2O3S
- Average molar mass
- 186.19 g/mol
- Monoisotopic mass
- 186.00991323
Names & identifiers
- Preferred name
- Methyl 6-oxo-2-sulfanylidene-1,2,3,6-tetrahydropyrimidine-4-carboxylate
- IUPAC
- methyl 4-oxo-2-sulfanylidene-1H-pyrimidine-6-carboxylate
Names & synonyms
6339-80-6NSC42007methyl 6-oxo-2-sulfanylidene-1,2,3,6-tetrahydropyrimidine-4-carboxylateSCHEMBL12872719DTXSID90396929HMS1784K01NSC-42007T5413142Z99599654
Database identifiers
- CAS
6339-80-6- PubChem CID
- 3825232
- DTXSID
DTXSID90396929
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 99.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 285
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…