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2682-21-5 | 3(2H)-Isothiazolone, 2-ethyl-
CAS No: 2682-21-5 Catalog No: AG007MM8 MDL No:
Product Description
Catalog Number:
AG007MM8
Chemical Name:
3(2H)-Isothiazolone, 2-ethyl-
CAS Number:
2682-21-5
Molecular Formula:
C5H7NOS
Molecular Weight:
129.1802
IUPAC Name:
2-ethyl-1,2-thiazol-3-one
InChI:
InChI=1S/C5H7NOS/c1-2-6-5(7)3-4-8-6/h3-4H,2H2,1H3
InChI Key:
ASKFWACWQQZSSS-UHFFFAOYSA-N
SMILES:
CCn1sccc1=O
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
129.025g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
129.177g/mol
Monoisotopic Mass:
129.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Literature
| Title | Journal |
|---|---|
| Inhibition of the PCAF histone acetyl transferase and cell proliferation by isothiazolones. | Bioorganic & medicinal chemistry 20090115 |
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