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88038-43-1 | 4H-1,3,4-Thiadiazin-5(6H)-one, 2-(2-pyridinyl)-
CAS No: 88038-43-1 Catalog No: AG004N1E MDL No:
Product Description
Catalog Number:
AG004N1E
Chemical Name:
4H-1,3,4-Thiadiazin-5(6H)-one, 2-(2-pyridinyl)-
CAS Number:
88038-43-1
Molecular Formula:
C8H7N3OS
Molecular Weight:
193.2257
IUPAC Name:
2-pyridin-2-yl-4H-1,3,4-thiadiazin-5-one
InChI:
InChI=1S/C8H7N3OS/c12-7-5-13-8(11-10-7)6-3-1-2-4-9-6/h1-4H,5H2,(H,10,12)
InChI Key:
IQKJKWVOQURDHK-UHFFFAOYSA-N
SMILES:
O=C1CSC(=NN1)c1ccccn1
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.031g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.224g/mol
Monoisotopic Mass:
193.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
79.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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