Basic information
- CAS
136994-98-4- Standard SMILES
O=[N+]([O-])c1cccc(C2SCc3nc4ccccc4n32)c1- InChIKey
JPYOBZYHHWLYHI-UHFFFAOYSA-N- Molecular formula
- C15H11N3O2S
- Average molar mass
- 297.3 g/mol
- Monoisotopic mass
- 297.05719778
Names & identifiers
- Preferred name
- 1H,3H-Thiazolo(3,4-a)benzimidazole, 1-(3-nitrophenyl)-
- IUPAC
- 1-(3-nitrophenyl)-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole
Names & synonyms
136994-98-41H,3H-Thiazolo(3,4-a)benzimidazole, 1-(3-nitrophenyl)-NSC6344631-(3-nitrophenyl)-1,3-dihydrothiazolo[3,4-a]benzimidazole1H,3H-Thiazolo[3,4-a]benzimidazole, 1-(3-nitrophenyl)-CHEMBL1967611DTXSID30929634NSC-634463NCI60_0114481-(3-Nitrophenyl)-1H,3H-[1,3]thiazolo[3,4-a]benzimidazole1-(3-Nitrophenyl)-1H,3H-[1,3]thiazolo[3,4-a][1,3]benzimidazole1-(3-(Hydroxy(oxido)amino)phenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole
Database identifiers
- CAS
136994-98-4- PubChem CID
- 366136
- DTXSID
DTXSID30929634- ChEMBL
CHEMBL1967611- Nikkaji
- J661.471J
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 88.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 416
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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