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134821-22-0 | 3-(4-methoxybenzoyl)-1,3-thiazolidine-2-thione
CAS No: 134821-22-0 Catalog No: AG01B5UD MDL No:MFCD03545922
Product Description
Catalog Number:
AG01B5UD
Chemical Name:
3-(4-methoxybenzoyl)-1,3-thiazolidine-2-thione
CAS Number:
134821-22-0
Molecular Formula:
C11H11NO2S2
Molecular Weight:
253.3405
MDL Number:
MFCD03545922
IUPAC Name:
(4-methoxyphenyl)-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone
InChI:
InChI=1S/C11H11NO2S2/c1-14-9-4-2-8(3-5-9)10(13)12-6-7-16-11(12)15/h2-5H,6-7H2,1H3
InChI Key:
PRVIBPPECORITJ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)N1CCSC1=S
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.023g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.334g/mol
Monoisotopic Mass:
253.023g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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