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743452-52-0 | 4-{[(4-methyl-1,3-thiazol-2-yl)sulfanyl]methyl}benzoic acid
CAS No: 743452-52-0 Catalog No: AG019JBL MDL No:MFCD05263783
Product Description
Catalog Number:
AG019JBL
Chemical Name:
4-{[(4-methyl-1,3-thiazol-2-yl)sulfanyl]methyl}benzoic acid
CAS Number:
743452-52-0
Molecular Formula:
C12H11NO2S2
Molecular Weight:
265.3512
MDL Number:
MFCD05263783
IUPAC Name:
4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoic acid
InChI:
InChI=1S/C12H11NO2S2/c1-8-6-16-12(13-8)17-7-9-2-4-10(5-3-9)11(14)15/h2-6H,7H2,1H3,(H,14,15)
InChI Key:
NODWFSIKRNTPCY-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)CSc1scc(n1)C
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.023g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.345g/mol
Monoisotopic Mass:
265.023g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| 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 |
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