3-[1-(Methylsulfonyl)-1h-benzimidazol-2-yl]propyl methanesulfonate

HCID 269508

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Basic information

CAS: 43215-20-9
Standard SMILES: CS(=O)(=O)OCCCc1nc2ccccc2n1S(C)(=O)=O
InChIKey: QQCSFJHSHXIVMI-UHFFFAOYSA-N
Molecular formula: C12H16N2O5S2
Average molar mass: 332.4 g/mol
Monoisotopic mass: 332.05006396

Names & identifiers

Preferred name: 3-[1-(Methylsulfonyl)-1h-benzimidazol-2-yl]propyl methanesulfonate
IUPAC: 3-(1-methylsulfonylbenzimidazol-2-yl)propyl methanesulfonate

Names & synonyms

43215-20-93-[1-(methylsulfonyl)-1h-benzimidazol-2-yl]propyl methanesulfonateNSC110676DTXSID00296648NSC-1106763-[1-(Methanesulfonyl)-1H-1,3-benzimidazol-2-yl]propyl methanesulfonate

Database identifiers

CAS: 43215-20-9
PubChem CID: 269508
DTXSID: DTXSID00296648

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 112 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 6
Heavy atoms: 21
Formal charge: 0
Complexity: 549

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