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Home > Thiazole > 1986-40-9

1986-40-9

1986-40-9 | 4-Thiazolidinone, 5-methyl-3-phenyl-2-thioxo-

CAS No: 1986-40-9 Catalog No: AG002BNK MDL No:

Product Description

Catalog Number:
AG002BNK
Chemical Name:
4-Thiazolidinone, 5-methyl-3-phenyl-2-thioxo-
CAS Number:
1986-40-9
Molecular Formula:
C10H9NOS2
Molecular Weight:
223.3146
IUPAC Name:
5-methyl-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C10H9NOS2/c1-7-9(12)11(10(13)14-7)8-5-3-2-4-6-8/h2-7H,1H3
InChI Key:
WKBKYNUBRWILMY-UHFFFAOYSA-N
SMILES:
S=C1SC(C(=O)N1c1ccccc1)C
NSC Number:
105977

Properties

Complexity:
261  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.013g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.308g/mol
Monoisotopic Mass:
223.013g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
77.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  

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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