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Home > Imidazoles > 3247-70-9
3247-70-9 | 2H-Imidazole-2-thione,1,3-dihydro-4-methyl-
CAS No: 3247-70-9 Catalog No: AG007FOJ MDL No:MFCD03789555
Product Description
Catalog Number:
AG007FOJ
Chemical Name:
2H-Imidazole-2-thione,1,3-dihydro-4-methyl-
CAS Number:
3247-70-9
Molecular Formula:
C4H6N2S
Molecular Weight:
114.1688
MDL Number:
MFCD03789555
IUPAC Name:
4-methyl-1,3-dihydroimidazole-2-thione
InChI:
InChI=1S/C4H6N2S/c1-3-2-5-4(7)6-3/h2H,1H3,(H2,5,6,7)
InChI Key:
SBQPDLGIWJRKBS-UHFFFAOYSA-N
SMILES:
Cc1c[nH]c(n1)S
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
114.025g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
114.166g/mol
Monoisotopic Mass:
114.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
Literature
| Title | Journal |
|---|---|
| A new family of flexible scorpionate ligands based on 2-mercaptopyridine. | Dalton transactions (Cambridge, England : 2003) 20090821 |
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