Basic information
- CAS
342013-63-2- Standard SMILES
Cn1c(SCCC(=O)O)nc2ccccc21- InChIKey
LOQYCXQYJMKVRT-UHFFFAOYSA-N- Molecular formula
- C11H12N2O2S
- Average molar mass
- 236.29 g/mol
- Monoisotopic mass
- 236.0619488
Names & identifiers
- Preferred name
- 3-(1-Methyl-1H-benzoimidazol-2-ylsulfanyl)-propionic acid
- IUPAC
- 3-(1-methylbenzimidazol-2-yl)sulfanylpropanoic acid
- English name
- 3-(1-Methyl-1H-benzoimidazol-2-ylsulfanyl)-propionic acid
- Molecular formula
- C11H12N2O2S
- Molecular weight
- 236.29
Names & synonyms
342013-63-23-(1-Methyl-1H-benzoimidazol-2-ylsulfanyl)-propionic acid3-((1-Methyl-1H-benzo[d]imidazol-2-yl)thio)propanoic acid3-(1-methylbenzimidazol-2-yl)sulfanylpropanoic acid3-(1-methylbenzimidazol-2-ylthio)propanoic acid3-[(1-methyl-1H-1,3-benzodiazol-2-yl)sulfanyl]propanoic acid3-[(1-methyl-1H-benzimidazol-2-yl)sulfanyl]propanoic acidOprea1_045056Oprea1_2841583-[(1-methyl-1h-benzimidazol-2-yl)thio]propanoic acidDTXSID50352182HMS1680N08
Show more names
Propanoic acid, 3-[(1-methyl-1H-benzimidazol-2-yl)thio]-
SBB018247AKOS000296892CS-0327674EU-0044032ST50250869AR-422/13390039SR-01000485776SR-01000485776-1
Database identifiers
- CAS
342013-63-2- PubChem CID
- 720896
- DTXSID
DTXSID50352182
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 80.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 262
Physicochemical properties
- Hazard Codes
- Xi
- 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_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers5 total
上海烁点生物科技有限公司18221553137 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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