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84255-20-9 | 1H-Imidazole-5-carbodithioicacid, 4-methyl-2-phenyl-
CAS No: 84255-20-9 Catalog No: AG004U6O MDL No:
Product Description
Catalog Number:
AG004U6O
Chemical Name:
1H-Imidazole-5-carbodithioicacid, 4-methyl-2-phenyl-
CAS Number:
84255-20-9
Molecular Formula:
C11H10N2S2
Molecular Weight:
234.3405
IUPAC Name:
5-methyl-2-phenyl-1H-imidazole-4-carbodithioic acid
InChI:
InChI=1S/C11H10N2S2/c1-7-9(11(14)15)13-10(12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,12,13)(H,14,15)
InChI Key:
FNKXLEZIGQBFIA-UHFFFAOYSA-N
SMILES:
SC(=S)c1[nH]c(nc1C)c1ccccc1
EC Number:
282-567-6
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.029g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
234.335g/mol
Monoisotopic Mass:
234.029g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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