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105377-24-0 | 1H-Benzimidazole-1-methanethiol
CAS No: 105377-24-0 Catalog No: AG007EU4 MDL No:
Product Description
Catalog Number:
AG007EU4
Chemical Name:
1H-Benzimidazole-1-methanethiol
CAS Number:
105377-24-0
Molecular Formula:
C8H8N2S
Molecular Weight:
164.2275
IUPAC Name:
benzimidazol-1-ylmethanethiol
InChI:
InChI=1S/C8H8N2S/c11-6-10-5-9-7-3-1-2-4-8(7)10/h1-5,11H,6H2
InChI Key:
JWIZNEGYFSSTLC-UHFFFAOYSA-N
SMILES:
SCn1cnc2c1cccc2
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.041g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
164.226g/mol
Monoisotopic Mass:
164.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
18.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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