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84824-77-1 | 1H-Imidazole-5-carbodithioicacid, 2-methyl-
CAS No: 84824-77-1 Catalog No: AG004X36 MDL No:MFCD00233360
Product Description
Catalog Number:
AG004X36
Chemical Name:
1H-Imidazole-5-carbodithioicacid, 2-methyl-
CAS Number:
84824-77-1
Molecular Formula:
C5H6N2S2
Molecular Weight:
158.2445
MDL Number:
MFCD00233360
IUPAC Name:
2-methyl-1H-imidazole-5-carbodithioic acid
InChI:
InChI=1S/C5H6N2S2/c1-3-6-2-4(7-3)5(8)9/h2H,1H3,(H,6,7)(H,8,9)
InChI Key:
IZYGCWIXHKMALW-UHFFFAOYSA-N
SMILES:
Cc1ncc([nH]1)C(=S)S
EC Number:
284-228-8
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:
2
Isotope Atom Count:
0
Molecular Weight:
158.237g/mol
Monoisotopic Mass:
157.997g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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