2-[(1-Benzyl-1H-benzimidazol-2-yl)sulfanyl]ethyl 4-methylbenzene-1-sulfonate
Basic information
- CAS
77168-19-5- Standard SMILES
Cc1ccc(S(=O)(=O)OCCSc2nc3ccccc3n2Cc2ccccc2)cc1- InChIKey
SYRLDYGDTYRZQR-UHFFFAOYSA-N- Molecular formula
- C23H22N2O3S2
- Average molar mass
- 438.6 g/mol
- Monoisotopic mass
- 438.10718492
Names & identifiers
- Preferred name
- 2-[(1-Benzyl-1H-benzimidazol-2-yl)sulfanyl]ethyl 4-methylbenzene-1-sulfonate
- IUPAC
- 2-(1-benzylbenzimidazol-2-yl)sulfanylethyl 4-methylbenzenesulfonate
Names & synonyms
77168-19-5NSC273383DTXSID703136142-[(1-Benzyl-1H-benzimidazol-2-yl)sulfanyl]ethyl 4-methylbenzene-1-sulfonateNSC-2733832-[(1-Benzyl-1H-1,3-benzimidazol-2-yl)sulfanyl]ethyl 4-methylbenzene-1-sulfonate
Database identifiers
- CAS
77168-19-5- PubChem CID
- 321541
- DTXSID
DTXSID70313614
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 94.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 625
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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