3-[(1H-benzimidazol-2-ylmethyl)sulfonyl]propanoic acid
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Basic information
- CAS
1092291-31-0- Standard SMILES
O=C(O)CCS(=O)(=O)Cc1nc2ccccc2[nH]1- InChIKey
MCFPIFKHHQATFA-UHFFFAOYSA-N- Molecular formula
- C11H12N2O4S
- Average molar mass
- 268.29 g/mol
- Monoisotopic mass
- 268.05177804
Names & identifiers
- Preferred name
- 3-[(1H-benzimidazol-2-ylmethyl)sulfonyl]propanoic acid
- IUPAC
- 3-(1H-benzimidazol-2-ylmethylsulfonyl)propanoic acid
- English name
- 3-[(1H-Benzimidazol-2-ylmethyl)sulfonyl]-propanoic acid
- Molecular formula
- C11H12N2O4S
- Molecular weight
- 268.29
Names & synonyms
1092291-31-03-[(1H-benzimidazol-2-ylmethyl)sulfonyl]propanoic acid3-(((1H-Benzo[d]imidazol-2-yl)methyl)sulfonyl)propanoic acidMFCD111088993-(1H-benzimidazol-2-ylmethylsulfonyl)propanoic acidpropanoic acid, 3-[(1H-benzimidazol-2-ylmethyl)sulfonyl]-3-[(1H-1,3-benzodiazol-2-yl)methanesulfonyl]propanoic acid3-(1H-1,3-benzodiazol-2-ylmethanesulfonyl)propanoic acidALBB-015865AKOS005175161NS-04275CS-0270470
Show more names
3-[(1H-Benzimidazol-2-ylmethyl)sulfonyl]-propanoic acid
EN300-302367H313123-[(1H-benzimidazol-2-yl)methanesulfonyl]propanoic acid3-(((1H-Benzo[d]imidazol-2-yl)methyl)sulfonyl)propanoicacid
Database identifiers
- CAS
1092291-31-0- PubChem CID
- 33748565
Properties
Computed structural propertiesFilling in
- XLogP
- 0.2
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 404
Physicochemical properties
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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