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Home > Fluorides > 875583-66-7
875583-66-7 | 4H-3,1-Benzothiazine, 2-[(6,6-difluoro-5-hexenyl)thio]-, 3-oxide
CAS No: 875583-66-7 Catalog No: AG004JB0 MDL No:
Product Description
Catalog Number:
AG004JB0
Chemical Name:
4H-3,1-Benzothiazine, 2-[(6,6-difluoro-5-hexenyl)thio]-, 3-oxide
CAS Number:
875583-66-7
Molecular Formula:
C14H15F2NOS2
Molecular Weight:
315.4018
IUPAC Name:
2-(6,6-difluorohex-5-enylsulfanyl)-4H-3λ4,1-benzothiazine 3-oxide
InChI:
InChI=1S/C14H15F2NOS2/c15-13(16)8-2-1-5-9-19-14-17-12-7-4-3-6-11(12)10-20(14)18/h3-4,6-8H,1-2,5,9-10H2
InChI Key:
BZECBWZPXZSKTQ-UHFFFAOYSA-N
SMILES:
FC(=CCCCCSC1=Nc2ccccc2CS1=O)F
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.056g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.397g/mol
Monoisotopic Mass:
315.056g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
73.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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