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87427-77-8 | 2H-1,3,4-Thiadiazin-2-one, 3,6-dihydro-5-[3-(trifluoromethyl)phenyl]-
CAS No: 87427-77-8 Catalog No: AG004G6L MDL No:
Product Description
Catalog Number:
AG004G6L
Chemical Name:
2H-1,3,4-Thiadiazin-2-one, 3,6-dihydro-5-[3-(trifluoromethyl)phenyl]-
CAS Number:
87427-77-8
Molecular Formula:
C10H7F3N2OS
Molecular Weight:
260.2356
IUPAC Name:
5-[3-(trifluoromethyl)phenyl]-3,6-dihydro-1,3,4-thiadiazin-2-one
InChI:
InChI=1S/C10H7F3N2OS/c11-10(12,13)7-3-1-2-6(4-7)8-5-17-9(16)15-14-8/h1-4H,5H2,(H,15,16)
InChI Key:
PAWMRERXQCTOAM-UHFFFAOYSA-N
SMILES:
O=C1NN=C(CS1)c1cccc(c1)C(F)(F)F
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.023g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.234g/mol
Monoisotopic Mass:
260.023g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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