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112903-53-4 | 2H-Benzimidazole-2-thione, 5,6-diethoxy-1,3-dihydro-
CAS No: 112903-53-4 Catalog No: AG0081P3 MDL No:
Product Description
Catalog Number:
AG0081P3
Chemical Name:
2H-Benzimidazole-2-thione, 5,6-diethoxy-1,3-dihydro-
CAS Number:
112903-53-4
Molecular Formula:
C11H14N2O2S
Molecular Weight:
238.3061
IUPAC Name:
5,6-diethoxy-1,3-dihydrobenzimidazole-2-thione
InChI:
InChI=1S/C11H14N2O2S/c1-3-14-9-5-7-8(13-11(16)12-7)6-10(9)15-4-2/h5-6H,3-4H2,1-2H3,(H2,12,13,16)
InChI Key:
JAWKIZNLFRROPZ-UHFFFAOYSA-N
SMILES:
CCOc1cc2[nH]c(=S)[nH]c2cc1OCC
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.078g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
238.305g/mol
Monoisotopic Mass:
238.078g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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