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88038-44-2 | 4H-1,3,4-Thiadiazin-5(6H)-one, 2-(3-methyl-2-pyridinyl)-
CAS No: 88038-44-2 Catalog No: AG004GFM MDL No:
Product Description
Catalog Number:
AG004GFM
Chemical Name:
4H-1,3,4-Thiadiazin-5(6H)-one, 2-(3-methyl-2-pyridinyl)-
CAS Number:
88038-44-2
Molecular Formula:
C9H9N3OS
Molecular Weight:
207.2523
IUPAC Name:
2-(3-methylpyridin-2-yl)-4H-1,3,4-thiadiazin-5-one
InChI:
InChI=1S/C9H9N3OS/c1-6-3-2-4-10-8(6)9-12-11-7(13)5-14-9/h2-4H,5H2,1H3,(H,11,13)
InChI Key:
SGCYNOSYBLJLAS-UHFFFAOYSA-N
SMILES:
O=C1CSC(=NN1)c1ncccc1C
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.047g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.251g/mol
Monoisotopic Mass:
207.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
79.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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