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84255-42-5 | 1H-Imidazole-5-carbodithioicacid, 2-ethyl-4-methyl-
CAS No: 84255-42-5 Catalog No: AG004YQ2 MDL No:
Product Description
Catalog Number:
AG004YQ2
Chemical Name:
1H-Imidazole-5-carbodithioicacid, 2-ethyl-4-methyl-
CAS Number:
84255-42-5
Molecular Formula:
C7H10N2S2
Molecular Weight:
186.2977
IUPAC Name:
2-ethyl-5-methyl-1H-imidazole-4-carbodithioic acid
InChI:
InChI=1S/C7H10N2S2/c1-3-5-8-4(2)6(9-5)7(10)11/h3H2,1-2H3,(H,8,9)(H,10,11)
InChI Key:
WQKQGRXNHYXVAH-UHFFFAOYSA-N
SMILES:
CCc1nc(c([nH]1)C(=S)S)C
EC Number:
282-591-7
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.029g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
186.291g/mol
Monoisotopic Mass:
186.029g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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