Basic information
- CAS
27231-37-4- Standard SMILES
Cc1ccc2nc(SCC(=O)O)[nH]c2c1- InChIKey
BINCCLNWCUYMIO-UHFFFAOYSA-N- Molecular formula
- C10H10N2O2S
- Average molar mass
- 222.27 g/mol
- Monoisotopic mass
- 222.04629874
Names & identifiers
- Preferred name
- (5-Methyl-1H-benzoimidazol-2-ylsulfanyl)-acetic acid
- IUPAC
- 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetic acid
- English name
- (5-METHYL-1H-BENZOIMIDAZOL-2-YLSULFANYL)-ACETIC ACID
- Molecular formula
- C10H10N2O2S
- Molecular weight
- 222.26
Names & synonyms
27231-37-4(5-Methyl-1H-benzoimidazol-2-ylsulfanyl)-acetic acidDTXSID20350650RefChem:209499DTXCID103017172-((6-Methyl-1H-benzo[d]imidazol-2-yl)thio)acetic acid2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetic acid[(5-methyl-1H-benzimidazol-2-yl)thio]acetic acid[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]acetic acid2-((5-Methyl-1H-benzo[d]imidazol-2-yl)thio)acetic acid2-[(6-methyl-1h-1,3-benzodiazol-2-yl)sulfanyl]acetic acid2-(5-methylbenzimidazol-2-ylthio)acetic acid
Show more names
CHEMBRDG-BB 4140363TIMTEC-BB SBB011493ASINEX-REAG BAS 16289554((5-METHYL-1H-BENZIMIDAZOL-2-YL)THIO)ACETIC ACIDAcetic acid, 2-[(6-methyl-1H-benzimidazol-2-yl)thio]-[(5-methyl-1H-benzimidazol-2-yl)thio]acetic acid(SALTDATA: 0.5H2O)
TimTec1_004513Oprea1_152534Oprea1_539149SCHEMBL14959209HMS1546N03HMS5171J10CBA23137SBB011493
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 91.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 250
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
Suppliers1 total
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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