CAS
40197-20-4 Purity
96%
40197-20-4 Purity
96%
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2-Mercaptobenzimidazole
CAS
583-39-1
Catalog Number
ACM583391-2
Category
Imidazoles
Molecular Weight
150.2
Molecular Formula
C7H6N2S
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Specification
Description
2-mercaptobenzimidazole appears as white to yellow crystals or cream colored powder. Slight odor. (NTP, 1992)
Synonyms
1H-Benzoimidazole-2-thiol
IUPAC Name
1,3-Dihydrobenzimidazole-2-thione
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
Density
1.42 (NTP, 1992)
Solubility
Slightly soluble in hot water
Appearance
Powder
Application
2-Mercaptobenzimidazole serves multiple purposes across various industries due to its versatile properties. Primarily, it acts as an antidegradant, offering protection to rubber against oxidative damage. In the pharmaceutical sector, it functions as an important intermediate in the synthesis of rabeprazole and is incorporated into certain anti-leprosy medications. Additionally, its utility extends to the field of electrochemistry, where it acts as a copper plating brightener and a corrosion inhibitor capable of safeguarding metals like copper and mild steel. Furthermore, it is effective in removing mercury (II) from aqueous solutions, making it valuable for treating wastewater in the chlor-alkali industry.
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
H-Bond Acceptor
1
H-Bond Donor
2
Heavy Atom Count
10
Hydrogen Bond Acceptor Count
1
Hydrogen Bond Donor Count
2
LogP
1.66 (LogP)
Monoisotopic Mass
150.02516937
NSC Number
186246;21414
Physical State
White powder
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
What is the molecular formula of 2-Mercaptobenzimidazole?
The molecular formula of 2-Mercaptobenzimidazole is C7H6N2S.
What is the molecular weight of 2-Mercaptobenzimidazole?
The molecular weight of 2-Mercaptobenzimidazole is 150.20 g/mol.
What are the synonyms for 2-Mercaptobenzimidazole?
The synonyms for 2-Mercaptobenzimidazole include 1H-Benzoimidazole-2-thiol and 2-Benzimidazolethiol.
What is the IUPAC name of 2-Mercaptobenzimidazole?
The IUPAC name of 2-Mercaptobenzimidazole is 1,3-dihydrobenzimidazole-2-thione.
What is the InChI key of 2-Mercaptobenzimidazole?
The InChI key of 2-Mercaptobenzimidazole is YHMYGUUIMTVXNW-UHFFFAOYSA-N.
What is the canonical SMILES of 2-Mercaptobenzimidazole?
The canonical SMILES of 2-Mercaptobenzimidazole is C1=CC=C2C(=C1)NC(=S)N2.
What is the CAS number of 2-Mercaptobenzimidazole?
The CAS number of 2-Mercaptobenzimidazole is 583-39-1.
What is the UNII number of 2-Mercaptobenzimidazole?
The UNII number of 2-Mercaptobenzimidazole is 619CVM6HOK.
What is the UN number of 2-Mercaptobenzimidazole?
The UN number of 2-Mercaptobenzimidazole is 2811.
What is the ChEMBL ID of 2-Mercaptobenzimidazole?
The ChEMBL ID of 2-Mercaptobenzimidazole is CHEMBL70141.
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