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6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazine

6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazine

CAS: 6431-65-8

Formula: C9H8F3NS

SMILES: FC(F)(F)C1=CC2=C(SCCN2)C=C1

IUPAC: 6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazine

InChI: InChI=1S/C9H8F3NS/c10-9(11,12)6-1-2-8-7(5-6)13-3-4-14-8/h1-2,5,13H,3-4H2

Composition: C (49.31%), H (3.68%), F (26.00%), N (6.39%), S (14.62%)

Molar Mass: 219.23

Atom Count: 22

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 219.032954925
Formal Charge 0
FSP3 0.33
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey MEJJCPDHJCPHMO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 53.22
Topological Polar Surface Area 12.03
Polarizability 18.6
Ring Count 2
Rotatable Bond Count 1

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