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875583-03-2 | 5(4H)-Isothiazolone, 4-methyl-
CAS No: 875583-03-2 Catalog No: AG004JB1 MDL No:
Product Description
Catalog Number:
AG004JB1
Chemical Name:
5(4H)-Isothiazolone, 4-methyl-
CAS Number:
875583-03-2
Molecular Formula:
C4H5NOS
Molecular Weight:
115.1536
IUPAC Name:
4-methyl-4H-1,2-thiazol-5-one
InChI:
InChI=1S/C4H5NOS/c1-3-2-5-7-4(3)6/h2-3H,1H3
InChI Key:
YVAQPFNBQOVYSM-UHFFFAOYSA-N
SMILES:
CC1C=NSC1=O
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
115.009g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
115.15g/mol
Monoisotopic Mass:
115.009g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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