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1707562-52-4 | 4-[4-(Methylthio)phenyl]-2h-pyrido[2,3-e][1,2,4]thiadiazin-3(4h)-one 1,1-dioxide
CAS No: 1707562-52-4 Catalog No: AG00HZGQ MDL No:
Product Description
Catalog Number:
AG00HZGQ
Chemical Name:
4-[4-(Methylthio)phenyl]-2h-pyrido[2,3-e][1,2,4]thiadiazin-3(4h)-one 1,1-dioxide
CAS Number:
1707562-52-4
IUPAC Name:
4-(4-methylsulfanylphenyl)-1,1-dioxopyrido[2,3-e][1,2,4]thiadiazin-3-one
InChI:
InChI=1S/C13H11N3O3S2/c1-20-10-6-4-9(5-7-10)16-12-11(3-2-8-14-12)21(18,19)15-13(16)17/h2-8H,1H3,(H,15,17)
InChI Key:
CUHPLPKJFKDDPU-UHFFFAOYSA-N
Properties
Complexity:
497
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.024g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
321.369g/mol
Monoisotopic Mass:
321.024g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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