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173352-12-0 | 2-Allylsulfanyl-5,6-dimethyl-1H-benzoimidazole
CAS No: 173352-12-0 Catalog No: AG01FA5P MDL No:
Product Description
Catalog Number:
AG01FA5P
Chemical Name:
2-Allylsulfanyl-5,6-dimethyl-1H-benzoimidazole
CAS Number:
173352-12-0
Molecular Formula:
C12H14N2S
Molecular Weight:
218.3180
IUPAC Name:
5,6-dimethyl-2-prop-2-enylsulfanyl-1H-benzimidazole
InChI:
InChI=1S/C12H14N2S/c1-4-5-15-12-13-10-6-8(2)9(3)7-11(10)14-12/h4,6-7H,1,5H2,2-3H3,(H,13,14)
InChI Key:
UBKRYFUNBXFGDH-UHFFFAOYSA-N
SMILES:
C=CCSc1[nH]c2c(n1)cc(c(c2)C)C
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.088g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.318g/mol
Monoisotopic Mass:
218.088g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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