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Home > Imidazoles > 98412-23-8
98412-23-8 | (1-Benzyl-2-sulfanyl-1h-imidazol-5-yl)methanol
CAS No: 98412-23-8 Catalog No: AG006SJS MDL No:MFCD02179523
Product Description
Catalog Number:
AG006SJS
Chemical Name:
(1-Benzyl-2-sulfanyl-1h-imidazol-5-yl)methanol
CAS Number:
98412-23-8
Molecular Formula:
C11H12N2OS
Molecular Weight:
220.2908
MDL Number:
MFCD02179523
IUPAC Name:
3-benzyl-4-(hydroxymethyl)-1H-imidazole-2-thione
InChI:
InChI=1S/C11H12N2OS/c14-8-10-6-12-11(15)13(10)7-9-4-2-1-3-5-9/h1-6,14H,7-8H2,(H,12,15)
InChI Key:
IIQWCVZBUKMFBS-UHFFFAOYSA-N
SMILES:
OCc1cnc(n1Cc1ccccc1)S
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.067g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
220.29g/mol
Monoisotopic Mass:
220.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Ultrasound improves the synthesis of 5-hydroxymethyl-2-mercapto-1-benzylimidazole as a base compound of some pharmaceutical products. | European journal of medicinal chemistry 20081201 |
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