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Home > Imidazoles > 133213-39-5
133213-39-5 | 2H-Imidazole-2-thione, 1,1'-methylenebis[1,3-dihydro-3-methyl-
CAS No: 133213-39-5 Catalog No: AG0014FD MDL No:
Product Description
Catalog Number:
AG0014FD
Chemical Name:
2H-Imidazole-2-thione, 1,1'-methylenebis[1,3-dihydro-3-methyl-
CAS Number:
133213-39-5
Molecular Formula:
C9H12N4S2
Molecular Weight:
240.3484
IUPAC Name:
1-methyl-3-[(3-methyl-2-sulfanylideneimidazol-1-yl)methyl]imidazole-2-thione
InChI:
InChI=1S/C9H12N4S2/c1-10-3-5-12(8(10)14)7-13-6-4-11(2)9(13)15/h3-6H,7H2,1-2H3
InChI Key:
MSEKARJFFVKFAZ-UHFFFAOYSA-N
SMILES:
S=c1n(ccn1C)Cn1ccn(c1=S)C
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.05g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.343g/mol
Monoisotopic Mass:
240.05g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
Literature
| Title | Journal |
|---|---|
| Syntheses and structures of half-sandwich iridium(III) and rhodium(III) complexes with organochalcogen (S, Se) ligands bearing N-methylimidazole and their use as catalysts for norbornene polymerization. | Dalton transactions (Cambridge, England : 2003) 20081107 |
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