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847829-38-3 | 2H-Imidazole-2-thione, 4-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1,3-dihydro-
CAS No: 847829-38-3 Catalog No: AG004XOH MDL No:
Product Description
Catalog Number:
AG004XOH
Chemical Name:
2H-Imidazole-2-thione, 4-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1,3-dihydro-
CAS Number:
847829-38-3
Molecular Formula:
C13H16N2S
Molecular Weight:
232.3445
IUPAC Name:
4-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1,3-dihydroimidazole-2-thione
InChI:
InChI=1S/C13H16N2S/c1-8-5-4-6-11(9(8)2)10(3)12-7-14-13(16)15-12/h4-7,10H,1-3H3,(H2,14,15,16)/t10-/m0/s1
InChI Key:
WQXVKEDUCPMRRI-JTQLQIEISA-N
SMILES:
C[C@@H](c1cccc(c1C)C)c1c[nH]c(=S)[nH]1
UNII:
W5LMZ0RC8I
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
232.103g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
232.345g/mol
Monoisotopic Mass:
232.103g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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