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Home > Imidazoles > 71196-90-2
71196-90-2 | 1H-Benzimidazole-2-sulfenylchloride (9CI)
CAS No: 71196-90-2 Catalog No: AG005WE5 MDL No:
Product Description
Catalog Number:
AG005WE5
Chemical Name:
1H-Benzimidazole-2-sulfenylchloride (9CI)
CAS Number:
71196-90-2
Molecular Formula:
C7H5ClN2S
Molecular Weight:
184.6460
IUPAC Name:
1H-benzimidazol-2-yl thiohypochlorite
InChI:
InChI=1S/C7H5ClN2S/c8-11-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H,9,10)
InChI Key:
IKGYHPDQGUHQQM-UHFFFAOYSA-N
SMILES:
ClSc1nc2c([nH]1)cccc2
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.986g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
184.641g/mol
Monoisotopic Mass:
183.986g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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