Basic information
- CAS
75464-90-3- Standard SMILES
O=[N+]([O-])c1cnc(Sc2ccncn2)s1- InChIKey
SPNKLYOUOJJHBK-UHFFFAOYSA-N- Molecular formula
- C7H4N4O2S2
- Average molar mass
- 240.3 g/mol
- Monoisotopic mass
- 239.97756773
Names & identifiers
- Preferred name
- 5-Nitro-2-pyrimidin-4-ylsulfanyl-1,3-thiazole
- IUPAC
- 5-nitro-2-pyrimidin-4-ylsulfanyl-1,3-thiazole
Names & synonyms
NSC 3117275-nitro-2-pyrimidin-4-ylsulfanyl-1,3-thiazole75464-90-34-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]pyrimidineMLS00075701157T55636JDNSC-311727SR-01000778562SR-01000778562-24-((5-Nitro-2-thiazolyl)thio)pyrimidine4-[(5-Nitro-2-thiazolyl)thio]pyrimidine4-({5-nitro-1,3-thiazol-2-yl}sulfanyl)pyrimidine
Show more names
cid_100520CHEMBL1413680SCHEMBL27212832UNII-57T55636JDBDBM62230DTXSID00226400HMS2784A18NSC311727
Database identifiers
- CAS
75464-90-3- PubChem CID
- 100520
- DTXSID
DTXSID00226400- ChEMBL
CHEMBL1413680- UNII
- 57T55636JD
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 238
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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