Basic information
- CAS
40045-67-8- Standard SMILES
O=[N+]([O-])c1cnc(Sc2ncccn2)s1- InChIKey
BQXRJAZCMUNLSR-UHFFFAOYSA-N- Molecular formula
- C7H4N4O2S2
- Average molar mass
- 240.3 g/mol
- Monoisotopic mass
- 239.97756773
Names & identifiers
- Preferred name
- Pyrimidine, 2-((5-nitro-2-thiazolyl)thio)-
- IUPAC
- 5-nitro-2-pyrimidin-2-ylsulfanyl-1,3-thiazole
Names & synonyms
Pyrimidine, 2-((5-nitro-2-thiazolyl)thio)-40045-67-82-((5-Nitro-2-thiazolyl)thio)pyrimidineDTXSID00193108RefChem:377493DTXCID701155992-[2-Pyrimidylthio]-5-nitrothiazoleSCHEMBL11523235BQXRJAZCMUNLSR-UHFFFAOYSA-N2-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]pyrimidine5-Nitro-1,3-thiazol-2-yl 2-pyrimidinyl sulfide #
Database identifiers
- CAS
40045-67-8- PubChem CID
- 148337
- DTXSID
DTXSID00193108
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 232
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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