3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4H-1??,4-benzothiazine-1,1-dione

3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4H-1??,4-benzothiazine-1,1-dione

CAS: 477868-97-6

Formula: C15H11ClFNO2S2

SMILES: FC1=CC=CC(Cl)=C1CSC1=CS(=O)(=O)C2=C(N1)C=CC=C2

IUPAC: 3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4H-1??,4-benzothiazine-1,1-dione

InChI: InChI=1S/C15H11ClFNO2S2/c16-11-4-3-5-12(17)10(11)8-21-15-9-22(19,20)14-7-2-1-6-13(14)18-15/h1-7,9,18H,8H2

Composition: C (50.63%), H (3.12%), Cl (9.96%), F (5.34%), N (3.94%), O (8.99%), S (18.02%)

Molar Mass: 355.83

Atom Count: 33

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	354.9903768
Formal Charge	0
FSP3	0.07
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	GTLGGCKHNSRRRC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	99.25
Topological Polar Surface Area	46.17
Polarizability	34.41
Ring Count	3
Rotatable Bond Count	3

Suppliers

Key Organics Ltd

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	477868-97-6		$51.35-$86.31$51.35$63.37$86.31