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87427-68-7 | 2H-1,3,4-Thiadiazin-2-one, 5-(3,4-dichlorophenyl)-3,6-dihydro-
CAS No: 87427-68-7 Catalog No: AG004J7U MDL No:
Product Description
Catalog Number:
AG004J7U
Chemical Name:
2H-1,3,4-Thiadiazin-2-one, 5-(3,4-dichlorophenyl)-3,6-dihydro-
CAS Number:
87427-68-7
Molecular Formula:
C9H6Cl2N2OS
Molecular Weight:
261.1277
IUPAC Name:
5-(3,4-dichlorophenyl)-3,6-dihydro-1,3,4-thiadiazin-2-one
InChI:
InChI=1S/C9H6Cl2N2OS/c10-6-2-1-5(3-7(6)11)8-4-15-9(14)13-12-8/h1-3H,4H2,(H,13,14)
InChI Key:
SIWQSGRIFIQKED-UHFFFAOYSA-N
SMILES:
O=C1NN=C(CS1)c1ccc(c(c1)Cl)Cl
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.958g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.12g/mol
Monoisotopic Mass:
259.958g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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