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87427-81-4 | 2H-1,3,4-Thiadiazin-2-one, 3,6-dihydro-5-(3,4,5-trimethoxyphenyl)-
CAS No: 87427-81-4 Catalog No: AG004G6K MDL No:
Product Description
Catalog Number:
AG004G6K
Chemical Name:
2H-1,3,4-Thiadiazin-2-one, 3,6-dihydro-5-(3,4,5-trimethoxyphenyl)-
CAS Number:
87427-81-4
Molecular Formula:
C12H14N2O4S
Molecular Weight:
282.3156
IUPAC Name:
5-(3,4,5-trimethoxyphenyl)-3,6-dihydro-1,3,4-thiadiazin-2-one
InChI:
InChI=1S/C12H14N2O4S/c1-16-9-4-7(5-10(17-2)11(9)18-3)8-6-19-12(15)14-13-8/h4-5H,6H2,1-3H3,(H,14,15)
InChI Key:
OFBLKOORDAUQFK-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1OC)OC)C1=NNC(=O)SC1
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:
1.9
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