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
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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