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7673-83-8 | 2-(1H-BENZO[D]IMIDAZOL-2-YLTHIO)-ETHANOL
CAS No: 7673-83-8 Catalog No: AG005IIC MDL No:MFCD00463759
Product Description
Catalog Number:
AG005IIC
Chemical Name:
2-(1H-BENZO[D]IMIDAZOL-2-YLTHIO)-ETHANOL
CAS Number:
7673-83-8
Molecular Formula:
C9H10N2OS
Molecular Weight:
194.2535
MDL Number:
MFCD00463759
IUPAC Name:
2-(1H-benzimidazol-2-ylsulfanyl)ethanol
InChI:
InChI=1S/C9H10N2OS/c12-5-6-13-9-10-7-3-1-2-4-8(7)11-9/h1-4,12H,5-6H2,(H,10,11)
InChI Key:
HFDPECWVRWDXHN-UHFFFAOYSA-N
SMILES:
OCCSc1nc2c([nH]1)cccc2
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.051g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
194.252g/mol
Monoisotopic Mass:
194.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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