2(1H)-Pyrimidinone, tetrahydro-4-thioxo-
Basic information
- CAS
4874-14-0- Standard SMILES
O=C1NCCC(=S)N1- InChIKey
DRSFFSGDEDDDFA-UHFFFAOYSA-N- Molecular formula
- C4H6N2OS
- Average molar mass
- 130.17 g/mol
- Monoisotopic mass
- 130.02008399
Names & identifiers
- Preferred name
- 2(1H)-Pyrimidinone, tetrahydro-4-thioxo-
- IUPAC
- 4-sulfanylidene-1,3-diazinan-2-one
- English name
- tetrahydro-4-thioxo-1H-pyrimidin-2-one
- Molecular formula
- C4H6N2OS
- Molecular weight
- 130.17
Names & synonyms
2(1H)-Pyrimidinone, tetrahydro-4-thioxo-4874-14-0EINECS 225-481-6DTXSID7063633RefChem:439804DTXCID8040642Tetrahydro-4-thioxo-1H-pyrimidin-2-one4PTJ2L6VXQTetrahydro-4-thioxo-2(1H)-pyrimidinone4-sulfanylidene-1,3-diazinan-2-oneUNII-4PTJ2L6VXQthioxotetrahydropyrimidinone
Show more names
SCHEMBL2488389DRSFFSGDEDDDFA-UHFFFAOYSA-NAKOS006352145NS00031822T84403
Database identifiers
- CAS
4874-14-0- PubChem CID
- 3034151
- DTXSID
DTXSID7063633- UNII
- 4PTJ2L6VXQ
- EC Number
- 225-481-6
- Nikkaji
- J262.506G
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 73.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 134
Physicochemical properties
- Melting point
- 191 · 191-193 °C
- Density
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- pka
- 7.46 · 7.46±0.20(Predicted)
- FDA UNII
- 4 PTJ2L6VXQ · 4PTJ2L6VXQ
- EPA Substance Registry System
- 2 · 2(1H)-Pyrimidinone, tetrahydro-4-thioxo- (4874-14-0)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2(1H)-Pyrimidinone, tetrahydro-4-thioxo-: INACTIVE
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…