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61640-27-5 | 1-(1,1-Dimethylethyl)-1,3-dihydro-2H-imidazole-2-thione
CAS No: 61640-27-5 Catalog No: AG00372H MDL No:MFCD10692574
Product Description
Catalog Number:
AG00372H
Chemical Name:
1-(1,1-Dimethylethyl)-1,3-dihydro-2H-imidazole-2-thione
CAS Number:
61640-27-5
Molecular Formula:
C7H12N2S
Molecular Weight:
156.2486
MDL Number:
MFCD10692574
IUPAC Name:
3-tert-butyl-1H-imidazole-2-thione
InChI:
InChI=1S/C7H12N2S/c1-7(2,3)9-5-4-8-6(9)10/h4-5H,1-3H3,(H,8,10)
InChI Key:
FRRVIFJVQIOERE-UHFFFAOYSA-N
SMILES:
CC(n1cc[nH]c1=S)(C)C
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.072g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
156.247g/mol
Monoisotopic Mass:
156.072g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| Synthesis, structure, and reactivity of two-coordinate mercury alkyl compounds with sulfur ligands: relevance to mercury detoxification. | Inorganic chemistry 20090720 |
| Hydrogen-bonding and π-π stacking inter-actions in tris-(1,10-phenanthroline-κN,N')nickel(II) bis-{[1-tert-butyl-imidazole-2(3H)-thione-κS]trichloridonickelate(II)} acetonitrile disolvate. | Acta crystallographica. Section E, Structure reports online 20080701 |
| Reactivity of the metal-->BX3 dative sigma-bond: 1,2-addition reactions of the Fe-->BX3 moiety of the ferraboratrane complex [kappa4-B(mimBu t)3]Fe(CO)2. | Inorganic chemistry 20060904 |
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