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918107-98-9 | 3(2H)-Isothiazolone, 2-[[3-(2-methyl-4-thiazolyl)phenyl]methyl]-
CAS No: 918107-98-9 Catalog No: AG0069YO MDL No:
Product Description
Catalog Number:
AG0069YO
Chemical Name:
3(2H)-Isothiazolone, 2-[[3-(2-methyl-4-thiazolyl)phenyl]methyl]-
CAS Number:
918107-98-9
Molecular Formula:
C14H12N2OS2
Molecular Weight:
288.3879
IUPAC Name:
2-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-1,2-thiazol-3-one
InChI:
InChI=1S/C14H12N2OS2/c1-10-15-13(9-18-10)12-4-2-3-11(7-12)8-16-14(17)5-6-19-16/h2-7,9H,8H2,1H3
InChI Key:
CRBRFFZYLNHBLD-UHFFFAOYSA-N
SMILES:
Cc1scc(n1)c1cccc(c1)Cn1sccc1=O
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.039g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.383g/mol
Monoisotopic Mass:
288.039g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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