Basic information
- CAS
75464-89-0- Standard SMILES
Cn1cnc([N+](=O)[O-])c1Sc1ncccn1- InChIKey
LWMMNQZYZIXZCW-UHFFFAOYSA-N- Molecular formula
- C8H7N5O2S
- Average molar mass
- 237.24 g/mol
- Monoisotopic mass
- 237.03204566
Names & identifiers
- Preferred name
- Pyrimidine, 2((1-methyl-4-nitro-1H-imidazol-5-yl)thio)-
- IUPAC
- 2-(3-methyl-5-nitroimidazol-4-yl)sulfanylpyrimidine
Names & synonyms
Pyrimidine, 2((1-methyl-4-nitro-1H-imidazol-5-yl)thio)-75464-89-0NSC631143NSC311070NSC 311070CHEMBL90408DTXSID502263992-[(1-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]pyrimidineNSC-311070NSC-631143DS-0123742-(3-methyl-5-nitro-imidazol-4-yl)sulfanylpyrimidine
Show more names
2-((4-(Hydroxy(oxido)amino)-1-methyl-1H-imidazol-5-yl)thio)pyrimidine
Database identifiers
- CAS
75464-89-0- PubChem CID
- 100511
- DTXSID
DTXSID50226399- ChEMBL
CHEMBL90408- Nikkaji
- J757.381B
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 255
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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