Basic information
- CAS
945-12-0- Standard SMILES
Cc1[nH]c(=S)[nH]c(=O)c1CCC(=O)O- InChIKey
XXPAJXVOQAZZJC-UHFFFAOYSA-N- Molecular formula
- C8H10N2O3S
- Average molar mass
- 214.24 g/mol
- Monoisotopic mass
- 214.04121336
Names & identifiers
- Preferred name
- 3-(2-Mercapto-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)propanoic acid
- IUPAC
- 3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanoic acid
Names & synonyms
3-(2-mercapto-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)propanoic acid945-12-0DTXSID30350767RefChem:273753DTXCID703018343-(4-methyl-6-oxo-2-sulfanyl-1,6-dihydropyrimidin-5-yl)propanoic acid3-(6-methyl-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)propanoic acid3-(6-Methyl-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl)propanoic acidNSC1597043-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanoic acidXXPAJXVOQAZZJC-UHFFFAOYSA-N3-(4-hydroxy-6-methyl-2-sulfanylpyrimidin-5-yl)propanoic acid
Show more names
CCG-22255STK770290STL036867AKOS001279890AKOS005690503AKOS016341056NSC-159704ST4080005
Database identifiers
- CAS
945-12-0- PubChem CID
- 687902
- DTXSID
DTXSID30350767
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 335
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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