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Home > Imidazoles > 87946-06-3
87946-06-3 | 1H-Imidazole, 1-methyl-2,5-bis(methylthio)-
CAS No: 87946-06-3 Catalog No: AG008BYY MDL No:
Product Description
Catalog Number:
AG008BYY
Chemical Name:
1H-Imidazole, 1-methyl-2,5-bis(methylthio)-
CAS Number:
87946-06-3
Molecular Formula:
C6H10N2S2
Molecular Weight:
174.2870
IUPAC Name:
1-methyl-2,5-bis(methylsulfanyl)imidazole
InChI:
InChI=1S/C6H10N2S2/c1-8-5(9-2)4-7-6(8)10-3/h4H,1-3H3
InChI Key:
XJKNXYUAPKVYPH-UHFFFAOYSA-N
SMILES:
CSc1ncc(n1C)SC
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.029g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.28g/mol
Monoisotopic Mass:
174.029g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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