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1269050-29-4 | 2-[(1H-benzimidazol-2-ylmethyl)thio]ethanol hydrochloride
CAS No: 1269050-29-4 Catalog No: AG00J0X6 MDL No:MFCD13193794
Product Description
Catalog Number:
AG00J0X6
Chemical Name:
2-[(1H-benzimidazol-2-ylmethyl)thio]ethanol hydrochloride
CAS Number:
1269050-29-4
Molecular Formula:
C10H13ClN2OS
Molecular Weight:
244.7410
MDL Number:
MFCD13193794
IUPAC Name:
2-(1H-benzimidazol-2-ylmethylsulfanyl)ethanol;hydrochloride
InChI:
InChI=1S/C10H12N2OS.ClH/c13-5-6-14-7-10-11-8-3-1-2-4-9(8)12-10;/h1-4,13H,5-7H2,(H,11,12);1H
InChI Key:
XJTMSGASMITMSA-UHFFFAOYSA-N
SMILES:
OCCSCc1nc2c([nH]1)cccc2.Cl
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.044g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
244.737g/mol
Monoisotopic Mass:
244.044g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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