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Home > Imidazoles > 852217-79-9
852217-79-9 | 4,5-dimethyl-1-(2-methylpropyl)-1H-imidazole-2-thiol
CAS No: 852217-79-9 Catalog No: AG019O2I MDL No:MFCD06655355
Product Description
Catalog Number:
AG019O2I
Chemical Name:
4,5-dimethyl-1-(2-methylpropyl)-1H-imidazole-2-thiol
CAS Number:
852217-79-9
Molecular Formula:
C9H16N2S
Molecular Weight:
184.3017
MDL Number:
MFCD06655355
IUPAC Name:
4,5-dimethyl-3-(2-methylpropyl)-1H-imidazole-2-thione
InChI:
InChI=1S/C9H16N2S/c1-6(2)5-11-8(4)7(3)10-9(11)12/h6H,5H2,1-4H3,(H,10,12)
InChI Key:
SKEGRXRYZCXTSK-UHFFFAOYSA-N
SMILES:
CC(Cn1c(S)nc(c1C)C)C
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.103g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
184.301g/mol
Monoisotopic Mass:
184.103g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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