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789-98-0 | 6-METHOXYTHIOFLAVONE
CAS No: 789-98-0 Catalog No: AG005CKO MDL No:
Product Description
Catalog Number:
AG005CKO
Chemical Name:
6-METHOXYTHIOFLAVONE
CAS Number:
789-98-0
Molecular Formula:
C16H12O2S
Molecular Weight:
268.3303
IUPAC Name:
6-methoxy-2-phenylthiochromen-4-one
InChI:
InChI=1S/C16H12O2S/c1-18-12-7-8-15-13(9-12)14(17)10-16(19-15)11-5-3-2-4-6-11/h2-10H,1H3
InChI Key:
NQJDVDOBFJHBKX-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(=S)cc(o2)c1ccccc1
NSC Number:
364353
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.056g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.33g/mol
Monoisotopic Mass:
268.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| Antitumor agents. 166. Synthesis and biological evaluation of 5,6,7,8-substituted-2-phenylthiochromen-4-ones. | Journal of medicinal chemistry 19960510 |
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