Basic information
- CAS
78831-52-4- Standard SMILES
Cc1[nH]c(=O)[nH]c(=O)c1CCS- InChIKey
VWNAIDCQXQEDDU-UHFFFAOYSA-N- Molecular formula
- C7H10N2O2S
- Average molar mass
- 186.23 g/mol
- Monoisotopic mass
- 186.04629874
Names & identifiers
- Preferred name
- 6-Methyl-5-(2-sulfanylethyl)pyrimidine-2,4(1h,3h)-dione
- IUPAC
- 6-methyl-5-(2-sulfanylethyl)-1H-pyrimidine-2,4-dione
Names & synonyms
78831-52-45-(2-Mercaptoethyl)-6-methylpyrimidine-2,4(1H,3H)-dione6-methyl-5-(2-sulfanylethyl)pyrimidine-2,4(1h,3h)-dione6-methyl-5-(2-sulfanylethyl)-1H-pyrimidine-2,4-dioneNSC111253DTXSID90296738NSC-111253DS-001594
Database identifiers
- CAS
78831-52-4- PubChem CID
- 269751
- DTXSID
DTXSID90296738
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 59.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 260
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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