Basic information
- CAS
6965-19-1- Standard SMILES
CCSc1nccc(=O)[nH]1- InChIKey
OEHRELACOJFJQI-UHFFFAOYSA-N- Molecular formula
- C6H8N2OS
- Average molar mass
- 156.21 g/mol
- Monoisotopic mass
- 156.03573406
Names & identifiers
- Preferred name
- 4-Pyrimidinol, 2-(ethylthio)-
- IUPAC
- 2-ethylsulfanyl-1H-pyrimidin-6-one
- English name
- 2-(Ethylthio)-4-pyrimidinol
- Molecular formula
- C6H8N2OS
- Molecular weight
- 156.21
Names & synonyms
6965-19-14-pyrimidinol, 2-(ethylthio)-2-(Ethylthio)pyrimidin-4(1H)-one4(1H)-Pyrimidinone, 2-(ethylthio)-2-ethylthiopyrimidin-4-ol2-ethylsulfanyl-1H-pyrimidin-6-one2-(Ethylthio)-4-pyrimidinolNSC674504(3H)-Pyrimidinone, 2-(ethylthio)-4 (1H)-Pyrimidinone, 2-(ethylthio)-Cambridge id 52406092-ethylthio-4-hydroxypyrimidine
Show more names
2-(ethylthio)pyrimidin-4-ol2-Ethylthio-4(1H)-pyrimidinone2-(Ethylthio)pyrimidine-4(1H)-one
SCHEMBL260347122-(ethylsulfanyl)pyrimidin-4-olDTXSID20290224OEHRELACOJFJQI-UHFFFAOYSA-N2-(Ethylthio)pyrimidin-4(3H)-oneNSC-67450SBB081944pyrimidin-4(1H)-one, 2-ethylthio-
Database identifiers
- CAS
6965-19-1- PubChem CID
- 249308
- DTXSID
DTXSID20290224- Nikkaji
- J100.841B
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 198
Physicochemical properties
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- pka
- 7.9 · 7.90±0.40(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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