2H-Benzimidazole-2-thione, 1,3-dihydro-4-methyl-

Base Information

• Chemical Name: 2H-Benzimidazole-2-thione, 1,3-dihydro-4-methyl-
• CAS No.: 53988-10-6
• Deprecated CAS: 64588-63-2,1224882-55-6
• Molecular Formula: C8H8N2S
• Molecular Weight: 164.24
• European Community (EC) Number: 258-904-8
• NSC Number: 129263
• DSSTox Substance ID: DTXSID2067290
• Nikkaji Number: J269.486G
• ChEMBL ID: CHEMBL4879224
• Mol file: 53988-10-6.mol

Synonyms:2-mercaptomethylbenzimidazole;2-MMBI;Nocrac MMB

Chemical Property of 2H-Benzimidazole-2-thione, 1,3-dihydro-4-methyl-

Chemical Property:

• Vapor Pressure: 0.00471mmHg at 25°C
• Melting Point: 273oC
• Refractive Index: 1.708
• Boiling Point: 276.8oC at 760mmHg
• Flash Point: 121.2oC
• PSA: 67.48000
• Density: 1.25
• LogP: 2.16000
• Water Solubility.: 120mg/L at 20℃
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 164.04081944
• Heavy Atom Count: 11
• Complexity: 181

Purity/Quality:

99% ^*data from raw suppliers

4-methyl-1H-benzimidazole-2-thiol 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): 20/21/22-36/37/38:
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36

MSDS Files:

Useful:

• Canonical SMILES: CC1=C2C(=CC=C1)NC(=S)N2