Acetic acid, [(5-nitro-1H-benzimidazol-2-yl)thio]-, ethyl ester

Substructure search Find similar structures

Basic information

CAS: 89029-01-6
Standard SMILES: CCOC(=O)CSc1nc2ccc([N+](=O)[O-])cc2[nH]1
InChIKey: UFDNLHGALVJTHI-UHFFFAOYSA-N
Molecular formula: C11H11N3O4S
Average molar mass: 281.29 g/mol
Monoisotopic mass: 281.04702701

Names & identifiers

Preferred name: Acetic acid, [(5-nitro-1H-benzimidazol-2-yl)thio]-, ethyl ester
IUPAC: ethyl 2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]acetate

Names & synonyms

89029-01-6STK323950Acetic acid, [(5-nitro-1H-benzimidazol-2-yl)thio]-, ethyl esterSCHEMBL7249161ethyl [(5-nitro-1H-benzimidazol-2-yl)sulfanyl]acetateDTXSID50399592AKOS003240617Ethyl [(6-nitro-1H-1,3-benzimidazol-2-yl)sulfanyl]acetate

Database identifiers

CAS: 89029-01-6
PubChem CID: 4125064
DTXSID: DTXSID50399592

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 126 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 5
Heavy atoms: 19
Formal charge: 0
Complexity: 349

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…