ethyl 3-methyl-6-(trifluoromethyl)-2H-1,4-benzothiazine-2-carboxylate

ethyl 3-methyl-6-(trifluoromethyl)-2H-1,4-benzothiazine-2-carboxylate

Formula: C13H12F3NO2S

SMILES: CCOC(=O)C1SC2=C(C=C(C=C2)C(F)(F)F)N=C1C

IUPAC: ethyl 3-methyl-6-(trifluoromethyl)-2H-1,4-benzothiazine-2-carboxylate

InChI: InChI=1/C13H12F3NO2S/c1-3-19-12(18)11-7(2)17-9-6-8(13(14,15)16)4-5-10(9)20-11/h4-6,11H,3H2,1-2H3

Composition: C (51.48%), H (3.99%), F (18.79%), N (4.62%), O (10.55%), S (10.57%)

Molar Mass: 303.3

Atom Count: 32

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	303.054084293
Formal Charge	0
FSP3	0.38
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	RZAHYNRYNMIQBF-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	72.76
Topological Polar Surface Area	38.66
Polarizability	26.35
Ring Count	2
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C13H12F3NO2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00