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204503-10-6 | 4H-Pyran-4-one, 2-[(butylthio)methyl]-5-hydroxy-
CAS No: 204503-10-6 Catalog No: AG0029J4 MDL No:
Product Description
Catalog Number:
AG0029J4
Chemical Name:
4H-Pyran-4-one, 2-[(butylthio)methyl]-5-hydroxy-
CAS Number:
204503-10-6
Molecular Formula:
C10H14O3S
Molecular Weight:
214.2814
IUPAC Name:
2-(butylsulfanylmethyl)-5-hydroxypyran-4-one
InChI:
InChI=1S/C10H14O3S/c1-2-3-4-14-7-8-5-9(11)10(12)6-13-8/h5-6,12H,2-4,7H2,1H3
InChI Key:
PJEUFTMKXABORH-UHFFFAOYSA-N
SMILES:
CCCCSCc1cc(=O)c(co1)O
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.066g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.279g/mol
Monoisotopic Mass:
214.066g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Kojyl thioether derivatives having both tyrosinase inhibitory and anti-inflammatory properties. | Bioorganic & medicinal chemistry letters 20101115 |
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