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64445-61-0 | 3(2H)-Isothiazolone, 5-(methylsulfonyl)-4-phenyl-
CAS No: 64445-61-0 Catalog No: AG00H768 MDL No:
Product Description
Catalog Number:
AG00H768
Chemical Name:
3(2H)-Isothiazolone, 5-(methylsulfonyl)-4-phenyl-
CAS Number:
64445-61-0
Molecular Formula:
C10H9NO3S2
Molecular Weight:
255.3134
IUPAC Name:
5-methylsulfonyl-4-phenyl-1,2-thiazol-3-one
InChI:
InChI=1S/C10H9NO3S2/c1-16(13,14)10-8(9(12)11-15-10)7-5-3-2-4-6-7/h2-6H,1H3,(H,11,12)
InChI Key:
GOKHPBOVIXDWJH-UHFFFAOYSA-N
SMILES:
O=c1[nH]sc(c1c1ccccc1)S(=O)(=O)C
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.002g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.306g/mol
Monoisotopic Mass:
255.002g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
96.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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