2-[(1-Methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl methanesulfonate
Basic information
- CAS
77168-16-2- Standard SMILES
Cn1c(SCCOS(C)(=O)=O)nc2ccccc21- InChIKey
JCQULAKXRYXHBR-UHFFFAOYSA-N- Molecular formula
- C11H14N2O3S2
- Average molar mass
- 286.4 g/mol
- Monoisotopic mass
- 286.04458466
Names & identifiers
- Preferred name
- 2-[(1-Methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl methanesulfonate
- IUPAC
- 2-(1-methylbenzimidazol-2-yl)sulfanylethyl methanesulfonate
Names & synonyms
77168-16-2NSC273387DTXSID503136172-[(1-Methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl methanesulfonateNSC-2733872-[(1-Methyl-1H-1,3-benzimidazol-2-yl)sulfanyl]ethyl methanesulfonate
Database identifiers
- CAS
77168-16-2- PubChem CID
- 321545
- DTXSID
DTXSID50313617
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 94.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 369
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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