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87428-37-3 | 4H-1,3,4-Thiadiazin-5(6H)-one, 2-(3,4,5-trimethoxyphenyl)-
CAS No: 87428-37-3 Catalog No: AG004J0J MDL No:
Product Description
Catalog Number:
AG004J0J
Chemical Name:
4H-1,3,4-Thiadiazin-5(6H)-one, 2-(3,4,5-trimethoxyphenyl)-
CAS Number:
87428-37-3
Molecular Formula:
C12H14N2O4S
Molecular Weight:
282.3156
IUPAC Name:
2-(3,4,5-trimethoxyphenyl)-4H-1,3,4-thiadiazin-5-one
InChI:
InChI=1S/C12H14N2O4S/c1-16-8-4-7(5-9(17-2)11(8)18-3)12-14-13-10(15)6-19-12/h4-5H,6H2,1-3H3,(H,13,15)
InChI Key:
CUNMUGAYZWLQSI-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1OC)OC)C1=NNC(=O)CS1
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.067g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.314g/mol
Monoisotopic Mass:
282.067g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
94.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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