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Home > Imidazoles > 84255-41-4
84255-41-4 | 1H-Imidazole-5-carbodithioicacid, 2,4-dimethyl-
CAS No: 84255-41-4 Catalog No: AG008IO3 MDL No:
Product Description
Catalog Number:
AG008IO3
Chemical Name:
1H-Imidazole-5-carbodithioicacid, 2,4-dimethyl-
CAS Number:
84255-41-4
Molecular Formula:
C6H8N2S2
Molecular Weight:
172.2711
IUPAC Name:
2,5-dimethyl-1H-imidazole-4-carbodithioic acid
InChI:
InChI=1S/C6H8N2S2/c1-3-5(6(9)10)8-4(2)7-3/h1-2H3,(H,7,8)(H,9,10)
InChI Key:
IYGWFIIGWCNJAR-UHFFFAOYSA-N
SMILES:
SC(=S)c1[nH]c(nc1C)C
EC Number:
282-590-1
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.013g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
172.264g/mol
Monoisotopic Mass:
172.013g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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