Home Other Building Blocks Ethanone, 2,2'-thiobis[1-phenyl-

Ethanone, 2,2'-thiobis[1-phenyl-

CAS No.:
2461-80-5
Catalog Number:
AG002ORZ
Molecular Formula:
C16H14O2S
Molecular Weight:
270.3462
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Product Description
Catalog Number:
AG002ORZ
Chemical Name:
Ethanone, 2,2'-thiobis[1-phenyl-
CAS Number:
2461-80-5
Molecular Formula:
C16H14O2S
Molecular Weight:
270.3462
MDL Number:
MFCD00054497
IUPAC Name:
2-phenacylsulfanyl-1-phenylethanone
InChI:
InChI=1S/C16H14O2S/c17-15(13-7-3-1-4-8-13)11-19-12-16(18)14-9-5-2-6-10-14/h1-10H,11-12H2
InChI Key:
LHSKVFSCEMNSEC-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)CSCC(=O)c1ccccc1
NSC Number:
68428
Properties
Complexity:
272  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.071g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.346g/mol
Monoisotopic Mass:
270.071g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties