Basic information
- CAS
59447-73-3- Standard SMILES
CSc1ncncc1N- InChIKey
PNPSRJCHNORKJY-UHFFFAOYSA-N- Molecular formula
- C5H7N3S
- Average molar mass
- 141.2 g/mol
- Monoisotopic mass
- 141.03606841
Names & identifiers
- Preferred name
- 4-Methylsulfanylpyrimidin-5-amine
- IUPAC
- 4-methylsulfanylpyrimidin-5-amine
- English name
- 5-Pyrimidinamine, 4-(methylthio)- (9CI)
- Molecular formula
- C5H7N3S
- Molecular weight
- 141.19
Names & synonyms
59447-73-34-methylsulfanylpyrimidin-5-amineDTXSID90313075RefChem:294696DTXCID902641994-(Methylthio)pyrimidin-5-amineNSC2661545-amino-6-methylthiopyrimidineHXC51240Azidoethyl-SS-ethylamine hydrochlorideNSC-2661544-(METHYLSULFANYL)PYRIMIDIN-5-AMINE
Show more names
5-Pyrimidinamine, 4-(methylthio)-5-Pyrimidinamine, 4-(methylthio)- (9CI)
Database identifiers
- CAS
59447-73-3- PubChem CID
- 320002
- DTXSID
DTXSID90313075
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 77.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 88.3
Physicochemical properties
- Boiling point
- 280.5 · 280.5±20.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- pka
- 3.69 · 3.69±0.16(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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