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Home > Imidazoles > 744967-17-7
744967-17-7 | 1H-Imidazole-1-carbodithioicacid, 2-methyl-
CAS No: 744967-17-7 Catalog No: AG008PXQ MDL No:
Product Description
Catalog Number:
AG008PXQ
Chemical Name:
1H-Imidazole-1-carbodithioicacid, 2-methyl-
CAS Number:
744967-17-7
Molecular Formula:
C5H6N2S2
Molecular Weight:
158.2445
IUPAC Name:
2-methylimidazole-1-carbodithioic acid
InChI:
InChI=1S/C5H6N2S2/c1-4-6-2-3-7(4)5(8)9/h2-3H,1H3,(H,8,9)
InChI Key:
NRDPSBVVFHTDIW-UHFFFAOYSA-N
SMILES:
Cc1nccn1C(=S)S
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.997g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
158.237g/mol
Monoisotopic Mass:
157.997g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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