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2-Mercaptobenzimidazole

Catalog Number
ACM583391-2
Product Name
2-Mercaptobenzimidazole
Structure
CAS
583-39-1
Category
Plastic Additives
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
Canonical 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)
InChI Key
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
Covalently-Bonded Unit Count
1
EC Number
209-502-6;604-756-8
Exact Mass
150.02516937
Formal Charge
0
Heavy Atom Count
10
Hydrogen Bond Acceptor Count
1
Hydrogen Bond Donor Count
2
Log P
1.66 (LogP)
MeSH Entry Terms
2-mercaptobenzimidazole;2-mercaptobenzimidazole, monosodium salt;2-mercaptobenzimidazole, zinc (2:1) salt
Monoisotopic Mass
150.02516937
NSC Number
186246;21414
Rotatable Bond Count
0
RTECS Number
DE1050000
Topological Polar Surface Area
56.2 Ų
UNII
619CVM6HOK
UN Number
2811
Vapor Pressure
30.2 mm Hg at 142 °F (NTP, 1992)
XLogP3
1.7
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