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88038-29-3 | 2H-1,3,4-Thiadiazin-2-one, 5-(5-chloro-3-pyridinyl)-3,6-dihydro-
CAS No: 88038-29-3 Catalog No: AG004J6Z MDL No:
Product Description
Catalog Number:
AG004J6Z
Chemical Name:
2H-1,3,4-Thiadiazin-2-one, 5-(5-chloro-3-pyridinyl)-3,6-dihydro-
CAS Number:
88038-29-3
Molecular Formula:
C8H6ClN3OS
Molecular Weight:
227.6707
IUPAC Name:
5-(5-chloropyridin-3-yl)-3,6-dihydro-1,3,4-thiadiazin-2-one
InChI:
InChI=1S/C8H6ClN3OS/c9-6-1-5(2-10-3-6)7-4-14-8(13)12-11-7/h1-3H,4H2,(H,12,13)
InChI Key:
HGHLWFDPEASZJJ-UHFFFAOYSA-N
SMILES:
O=C1NN=C(CS1)c1cncc(c1)Cl
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.992g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.666g/mol
Monoisotopic Mass:
226.992g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
79.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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