Pyrimidine, 2-((1-methyl-5-nitro-2-imidazolylmethyl)thio)-
Basic information
- CAS
57235-18-4- Standard SMILES
Cn1c([N+](=O)[O-])cnc1CSc1ncccn1- InChIKey
LNGVNXBVCCTHBE-UHFFFAOYSA-N- Molecular formula
- C9H9N5O2S
- Average molar mass
- 251.27 g/mol
- Monoisotopic mass
- 251.04769572
Names & identifiers
- Preferred name
- Pyrimidine, 2-((1-methyl-5-nitro-2-imidazolylmethyl)thio)-
- IUPAC
- 2-[(1-methyl-5-nitroimidazol-2-yl)methylsulfanyl]pyrimidine
Names & synonyms
Pyrimidine, 2-((1-methyl-5-nitro-2-imidazolylmethyl)thio)-57235-18-4BRN 08901682-((1-Methyl-5-nitro-2-imidazolylmethyl)thio)pyrimidine5-23-11-00112 (Beilstein Handbook Reference)SCHEMBL6475170DTXSID202058532-{[(1-methyl-5-nitro-1H-imidazol-2-yl)methyl]sulfanyl}pyrimidine
Database identifiers
- CAS
57235-18-4- PubChem CID
- 3044403
- DTXSID
DTXSID20205853- Nikkaji
- J86.941D
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 269
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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