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Home > Imidazoles > 191021-14-4
191021-14-4 | 1H-Imidazole-2-methanol, 1-methyl-α-2-thienyl-
CAS No: 191021-14-4 Catalog No: AG002EZT MDL No:MFCD03211770
Product Description
Catalog Number:
AG002EZT
Chemical Name:
1H-Imidazole-2-methanol, 1-methyl-α-2-thienyl-
CAS Number:
191021-14-4
Molecular Formula:
C9H10N2OS
Molecular Weight:
194.2535
MDL Number:
MFCD03211770
IUPAC Name:
(1-methylimidazol-2-yl)-thiophen-2-ylmethanol
InChI:
InChI=1S/C9H10N2OS/c1-11-5-4-10-9(11)8(12)7-3-2-6-13-7/h2-6,8,12H,1H3
InChI Key:
CBFYFUUPVYIGCM-UHFFFAOYSA-N
SMILES:
Cn1ccnc1C(c1cccs1)O
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.051g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.252g/mol
Monoisotopic Mass:
194.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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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