Basic information
- CAS
51099-68-4- Standard SMILES
CCn1c(SCCC(=O)O)nc2ccccc21- InChIKey
BTPUORIJGQSIMG-UHFFFAOYSA-N- Molecular formula
- C12H14N2O2S
- Average molar mass
- 250.32 g/mol
- Monoisotopic mass
- 250.07759887
Names & identifiers
- Preferred name
- 3-[(1-Ethyl-1H-benzimidazol-2-YL)thio]propanoic acid
- IUPAC
- 3-(1-ethylbenzimidazol-2-yl)sulfanylpropanoic acid
- English name
- 3-[(1-Ethyl-1H-benzimidazol-2-yl)thio]propanoic acid
- Molecular formula
- C12H14N2O2S
- Molecular weight
- 250.32
Names & synonyms
51099-68-43-[(1-ETHYL-1H-BENZIMIDAZOL-2-YL)THIO]PROPANOIC ACID3-[(1-Ethyl-1H-benzimidazol-2-yl)sulfanyl]propanoic acid3-(1-ethylbenzimidazol-2-yl)sulfanylpropanoic acidMFCD018743263-((1-Ethyl-1H-benzo[d]imidazol-2-yl)thio)propanoic acidOprea1_111020DTXSID10345030BTPUORIJGQSIMG-UHFFFAOYSA-NHMS5171P05STK378893AKOS000296893
Show more names
AKOS KUBRG0000036CHEMBRDG-BB 6706370Propanoic acid, 3-[(1-ethyl-1H-benzimidazol-2-yl)thio]-3-[(1-ethyl-1H-benzimidazol-2-yl)thio]propanoic acid(SALTDATA: FREE)
BS-38086ST053437CS-03230133-(1-ethylbenzimidazol-2-ylthio)propanoic acidAN-023/13711136F315148SR-01000452981Propanoic acid, 3-(1-ethyl-2-benzimidazolylthio)-
Database identifiers
- CAS
51099-68-4- PubChem CID
- 601261
- DTXSID
DTXSID10345030
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 80.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 275
Chemistry & industry
Suppliers2 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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