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3020-65-3 | 1H-benzimidazol-2-ylmethanethiol hydrochloride
CAS No: 3020-65-3 Catalog No: AG00J16X MDL No:MFCD09240592
Product Description
Catalog Number:
AG00J16X
Chemical Name:
1H-benzimidazol-2-ylmethanethiol hydrochloride
CAS Number:
3020-65-3
Molecular Formula:
C8H9ClN2S
Molecular Weight:
200.6885
MDL Number:
MFCD09240592
IUPAC Name:
1H-benzimidazol-2-ylmethanethiol;hydrochloride
InChI:
InChI=1S/C8H8N2S.ClH/c11-5-8-9-6-3-1-2-4-7(6)10-8;/h1-4,11H,5H2,(H,9,10);1H
InChI Key:
NWPIECKMWKEZHZ-UHFFFAOYSA-N
SMILES:
SCc1nc2c([nH]1)cccc2.Cl
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.017g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
200.684g/mol
Monoisotopic Mass:
200.017g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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