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Home > Imidazoles > 89367-89-5
89367-89-5 | 2H-Imidazole-2-thione, 1,3-dihydro-1-methyl-5-(methylthio)-
CAS No: 89367-89-5 Catalog No: AG003XKY MDL No:
Product Description
Catalog Number:
AG003XKY
Chemical Name:
2H-Imidazole-2-thione, 1,3-dihydro-1-methyl-5-(methylthio)-
CAS Number:
89367-89-5
Molecular Formula:
C5H8N2S2
Molecular Weight:
160.2604
IUPAC Name:
3-methyl-4-methylsulfanyl-1H-imidazole-2-thione
InChI:
InChI=1S/C5H8N2S2/c1-7-4(9-2)3-6-5(7)8/h3H,1-2H3,(H,6,8)
InChI Key:
HDDFATYWVYLRSE-UHFFFAOYSA-N
SMILES:
Cn1c(SC)c[nH]c1=S
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.013g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
160.253g/mol
Monoisotopic Mass:
160.013g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
72.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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