4-(1H-benzimidazol-2-yl)-3-oxido-1,3-thiazol-3-ium

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Basic information

CAS: 30853-33-9
Standard SMILES: [O-][n+]1cscc1-c1nc2ccccc2[nH]1
InChIKey: DPIBFHDJMWGKTB-UHFFFAOYSA-N
Molecular formula: C10H7N3OS
Average molar mass: 217.25 g/mol
Monoisotopic mass: 217.03098303

Names & identifiers

Preferred name: 4-(1H-benzimidazol-2-yl)-3-oxido-1,3-thiazol-3-ium
IUPAC: 4-(1H-benzimidazol-2-yl)-3-oxido-1,3-thiazol-3-ium

Names & synonyms

30853-33-9NSC3390594-(1H-benzimidazol-2-yl)-3-oxido-1,3-thiazol-3-ium1H-Benzimidazole, N-oxide4-(1H-Benzo[d]imidazol-2-yl)thiazole 3-oxideDTXSID70319050NSC-339059DS-0086271H-BENZIMIDAZOLE,2-(3-OXIDO-4-THIAZOLYL)-2-(3-Oxo-1,3lambda~5~-thiazol-4-yl)-1H-1,3-benzimidazole

Database identifiers

CAS: 30853-33-9
PubChem CID: 334313
DTXSID: DTXSID70319050

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 82.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 241

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