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Home > Imidazoles > 120764-43-4
120764-43-4 | 1H-Benzimidazole,ethoxy-2-(ethylthio)- (9CI)
CAS No: 120764-43-4 Catalog No: AG00756X MDL No:MFCD00680185
Product Description
Catalog Number:
AG00756X
Chemical Name:
1H-Benzimidazole,ethoxy-2-(ethylthio)- (9CI)
CAS Number:
120764-43-4
Molecular Formula:
C11H14N2OS
Molecular Weight:
222.3067
MDL Number:
MFCD00680185
IUPAC Name:
6-ethoxy-2-ethylsulfanyl-1H-benzimidazole
InChI:
InChI=1S/C11H14N2OS/c1-3-14-8-5-6-9-10(7-8)13-11(12-9)15-4-2/h5-7H,3-4H2,1-2H3,(H,12,13)
InChI Key:
XFLUTXZJXVSDEZ-UHFFFAOYSA-N
SMILES:
CCOc1ccc2c(c1)[nH]c(n2)SCC
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.083g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.306g/mol
Monoisotopic Mass:
222.083g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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