(2-Allylsulfanyl-benzoimidazol-1-yl)-acetic acid

Base Information

• Chemical Name: (2-Allylsulfanyl-benzoimidazol-1-yl)-acetic acid
• CAS No.: 312754-94-2
• Molecular Formula: C12H12N2O2S
• Molecular Weight: 248.3
• Hs Code.: 2933290090
• DSSTox Substance ID: DTXSID70378263
• Mol file: 312754-94-2.mol

Synonyms:312754-94-2;(2-Allylsulfanyl-benzoimidazol-1-yl)-acetic acid;2-(2-(Allylthio)-1H-benzo[d]imidazol-1-yl)acetic acid;2-(2-prop-2-enylsulfanylbenzimidazol-1-yl)acetic acid;Cambridge id 5482725;Oprea1_307799;Oprea1_440258;SCHEMBL1520389;DTXSID70378263;STK373786;AKOS000301799;CCG-103468;CS-0333140;FT-0644397;(2-Allylsulfanylbenzoimidazol-1-yl)acetic acid;AB00086699-01;(2-allylsulfanylbenzo[d]imidazol-1-yl)acetic acid;AH-034/08461054;SR-01000392879;SR-01000392879-1;[2-(allylsulfanyl)-1H-benzimidazol-1-yl]acetic acid;2-(2-(Allylthio)-1H-benzo[d]imidazol-1-yl)aceticacid;[2-(prop-2-en-1-ylsulfanyl)-1H-benzimidazol-1-yl]acetic acid;[2-(Allylsulfanyl)-1H-benzimidazol-1-yl]acetic acid, AldrichCPR;2-[2-(prop-2-en-1-ylsulfanyl)-1H-1,3-benzodiazol-1-yl]acetic acid

Chemical Property of (2-Allylsulfanyl-benzoimidazol-1-yl)-acetic acid

Chemical Property:

• Vapor Pressure: 3.89E-09mmHg at 25°C
• Boiling Point: 456.8 °C at 760 mmHg
• PKA: 3.17±0.10(Predicted)
• Flash Point: 230.1 °C
• PSA: 80.42000
• Density: 1.28 g/cm³
• LogP: 2.39900
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 248.06194880
• Heavy Atom Count: 17
• Complexity: 298

Purity/Quality:

98%min ^*data from raw suppliers

(2-Allylsulfanyl-benzoimidazol-1-yl)-acetic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCSC1=NC2=CC=CC=C2N1CC(=O)O