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65439-58-9 | 2-Phenyl-1-(2-thioxo-3-thiazolidinyl)ethanone
CAS No: 65439-58-9 Catalog No: AG00EJW0 MDL No:MFCD00449491
Product Description
Catalog Number:
AG00EJW0
Chemical Name:
2-Phenyl-1-(2-thioxo-3-thiazolidinyl)ethanone
CAS Number:
65439-58-9
Molecular Formula:
C11H11NOS2
Molecular Weight:
237.3411
MDL Number:
MFCD00449491
IUPAC Name:
2-phenyl-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone
InChI:
InChI=1S/C11H11NOS2/c13-10(12-6-7-15-11(12)14)8-9-4-2-1-3-5-9/h1-5H,6-8H2
InChI Key:
OVLPCYXFKYZNNF-UHFFFAOYSA-N
SMILES:
O=C(N1CCSC1=S)Cc1ccccc1
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.028g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.335g/mol
Monoisotopic Mass:
237.028g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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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