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132220-03-2 | 2H-1-Benzopyran-2-thione, 7-hydroxy-4-methyl-
CAS No: 132220-03-2 Catalog No: AG0010E8 MDL No:
Product Description
Catalog Number:
AG0010E8
Chemical Name:
2H-1-Benzopyran-2-thione, 7-hydroxy-4-methyl-
CAS Number:
132220-03-2
Molecular Formula:
C10H8O2S
Molecular Weight:
192.2343
IUPAC Name:
7-hydroxy-4-methylchromene-2-thione
InChI:
InChI=1S/C10H8O2S/c1-6-4-10(13)12-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3
InChI Key:
MXLXBGBWTONSTK-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)oc(=S)cc2C
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.025g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.232g/mol
Monoisotopic Mass:
192.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Novel thiocoumarins as inhibitors of TNF-alpha induced ICAM-1 expression on human umbilical vein endothelial cells (HUVECs) and microsomal lipid peroxidation. | Bioorganic & medicinal chemistry 20050301 |
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