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87427-83-6 | 2H-1,3,4-Thiadiazin-2-one, 5-(3,4-dimethylphenyl)-3,6-dihydro-
CAS No: 87427-83-6 Catalog No: AG004MW2 MDL No:
Product Description
Catalog Number:
AG004MW2
Chemical Name:
2H-1,3,4-Thiadiazin-2-one, 5-(3,4-dimethylphenyl)-3,6-dihydro-
CAS Number:
87427-83-6
Molecular Formula:
C11H12N2OS
Molecular Weight:
220.2908
IUPAC Name:
5-(3,4-dimethylphenyl)-3,6-dihydro-1,3,4-thiadiazin-2-one
InChI:
InChI=1S/C11H12N2OS/c1-7-3-4-9(5-8(7)2)10-6-15-11(14)13-12-10/h3-5H,6H2,1-2H3,(H,13,14)
InChI Key:
SCXSBHSHEWVZAU-UHFFFAOYSA-N
SMILES:
O=C1NN=C(CS1)c1ccc(c(c1)C)C
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.067g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.29g/mol
Monoisotopic Mass:
220.067g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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