[(4,5,6-Trichloro-1h-benzimidazol-2-yl)sulfanyl]acetic acid
Basic information
- CAS
7144-29-8- Standard SMILES
O=C(O)CSc1nc2c(Cl)c(Cl)c(Cl)cc2[nH]1- InChIKey
OGFSVBKMGZSWFK-UHFFFAOYSA-N- Molecular formula
- C9H5Cl3N2O2S
- Average molar mass
- 311.6 g/mol
- Monoisotopic mass
- 309.913732
Names & identifiers
- Preferred name
- [(4,5,6-Trichloro-1h-benzimidazol-2-yl)sulfanyl]acetic acid
- IUPAC
- 2-[(4,5,6-trichloro-1H-benzimidazol-2-yl)sulfanyl]acetic acid
Names & synonyms
NSC141827144-29-8[(4,5,6-trichloro-1h-benzimidazol-2-yl)sulfanyl]acetic acid2-[(4,5,6-trichloro-1H-benzimidazol-2-yl)sulfanyl]acetic acidDTXSID70279807NSC-14182Acetic acid, [(4,5,6-trichloro-1H-benzimidazol-2-yl)thio]-[(4,5,6-Trichloro-1H-1,3-benzimidazol-2-yl)sulfanyl]acetic acid
Database identifiers
- CAS
7144-29-8- PubChem CID
- 225099
- DTXSID
DTXSID70279807
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 91.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 310
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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