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2-Mercaptobenzimidazole
Typical physical and chemical properties
Catalog Number ACM583391-2
Product Name 2-Mercaptobenzimidazole
CAS 583-39-1
Structure
Synonyms 1H-Benzoimidazole-2-thiol
Description 2-mercaptobenzimidazole appears as white to yellow crystals or cream colored powder. Slight odor. (NTP, 1992)
IUPAC Name 1,3-Dihydrobenzimidazole-2-thione
Molecular Weight 150.2
Molecular Formula C7H6N2S
SMILES C1=CC=C2C(=C1)NC(=S)N2
InChI InChI=1S/C7H6N2S/c10-7-8-5-3-1-2-4-6(5)9-7/h1-4H,(H2,8,9,10)
InChIKey YHMYGUUIMTVXNW-UHFFFAOYSA-N
Boiling Point 270.6±23.0 °C
Melting Point 300-304 °C
Purity 98%+
Density 1.42 (NTP, 1992)
Solubility Slightly soluble in hot water
Appearance Powder
Storage 2-8 °C
Complexity 142
Exact Mass 150.02516937
Monoisotopic Mass 150.02516937
Formal Charge 0
Physical State White powder
Topological Polar Surface Area 56.2 Ų
Covalently-Bonded Unit Count 1
Heavy Atom Count 10
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 2
Rotatable Bond Count 0
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