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Home > Imidazoles > 3418-46-0
3418-46-0 | 2H-Benzimidazole-2-thione,1,3-dihydro-1,3-dimethyl-
CAS No: 3418-46-0 Catalog No: AG007H7W MDL No:
Product Description
Catalog Number:
AG007H7W
Chemical Name:
2H-Benzimidazole-2-thione,1,3-dihydro-1,3-dimethyl-
CAS Number:
3418-46-0
Molecular Formula:
C9H10N2S
Molecular Weight:
178.2541
IUPAC Name:
1,3-dimethylbenzimidazole-2-thione
InChI:
InChI=1S/C9H10N2S/c1-10-7-5-3-4-6-8(7)11(2)9(10)12/h3-6H,1-2H3
InChI Key:
CSYLYUAMXUGIFE-UHFFFAOYSA-N
SMILES:
S=c1n(C)c2c(n1C)cccc2
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.056g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.253g/mol
Monoisotopic Mass:
178.056g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Synthesis, characterization, and DFT studies of thione and selone Cu(I) complexes with variable coordination geometries. | Dalton transactions (Cambridge, England : 2003) 20110414 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
| DFT calculations, structural and spectroscopic studies on the products formed between IBr and N,N'-dimethylbenzoimidazole-2(3H)-thione and -2(3H)-selone. | Dalton transactions (Cambridge, England : 2003) 20050707 |
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