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430450-90-1 | (4Z)-4-(3-iodo-4,5-dimethoxybenzylidene)-2-(methylthio)-1,3-thiazol-5(4H)-one
CAS No: 430450-90-1 Catalog No: AG00DAW5 MDL No:MFCD02376571
Product Description
Catalog Number:
AG00DAW5
Chemical Name:
(4Z)-4-(3-iodo-4,5-dimethoxybenzylidene)-2-(methylthio)-1,3-thiazol-5(4H)-one
CAS Number:
430450-90-1
Molecular Formula:
C13H12INO3S2
Molecular Weight:
421.2737
MDL Number:
MFCD02376571
IUPAC Name:
4-[(3-iodo-4,5-dimethoxyphenyl)methylidene]-2-methylsulfanyl-1,3-thiazol-5-one
InChI:
InChI=1S/C13H12INO3S2/c1-17-10-6-7(4-8(14)11(10)18-2)5-9-12(16)20-13(15-9)19-3/h4-6H,1-3H3
InChI Key:
CUTNTQFMSBPNGS-UHFFFAOYSA-N
SMILES:
CSC1=N/C(=C\c2cc(I)c(c(c2)OC)OC)/C(=O)S1
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
420.93g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
421.267g/mol
Monoisotopic Mass:
420.93g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
98.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4
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