Basic information
- CAS
89897-46-1- Standard SMILES
CNc1nc(SC)n(C)c(=O)c1N=O- InChIKey
XBTWITMDAQCFAX-UHFFFAOYSA-N- Molecular formula
- C7H10N4O2S
- Average molar mass
- 214.25 g/mol
- Monoisotopic mass
- 214.05244675
Names & identifiers
- Preferred name
- 3-Methyl-6-(methylamino)-2-(methylthio)-5-nitroso-4(3H)-pyrimidinone
- IUPAC
- 3-methyl-6-(methylamino)-2-methylsulfanyl-5-nitrosopyrimidin-4-one
- English name
- 3-Methyl-6-(methylamino)-2-(methylthio)-5-nitroso-4(3H)-pyrimidinone
- Molecular weight
- 0
Names & synonyms
89897-46-18TWW3XY0I93-Methyl-6-(methylamino)-2-(methylthio)-5-nitroso-4(3H)-pyrimidinoneUNII-8TWW3XY0I9NSC 56906NSC-56906DTXSID402379344(3H)-PYRIMIDINONE, 3-METHYL-6-(METHYLAMINO)-2-(METHYLTHIO)-5-NITROSO-RefChem:94806DTXCID90160425NSC56906MLS000766279
Show more names
CHEMBL1311401NCGC00246836-01SMR0005288683-methyl-6-(methylamino)-2-methylsulfanyl-5-nitroso-pyrimidin-4-one3-methyl-6-(methylamino)-2-(methylsulfanyl)-5-nitrosopyrimidin-4(3H)-one
Database identifiers
- CAS
89897-46-1- PubChem CID
- 245201
- DTXSID
DTXSID40237934- ChEMBL
CHEMBL1311401- UNII
- 8TWW3XY0I9
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 99.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 337
Physicochemical properties
- FDA UNII
- 8 TWW3XY0I9 · 8TWW3XY0I9
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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