2',3',4,5-tetramethyl 5',5',9'-trimethyl-6'-(2,2,2-trifluoroacetyl)spiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate

2',3',4,5-tetramethyl 5',5',9'-trimethyl-6'-(2,2,2-trifluoroacetyl)spiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate

Formula: C27H24F3NO9S3

SMILES: COC(=O)C1=C(SC2(S1)C(C(=O)OC)=C(SC1=C2C2=C(C=CC(C)=C2)N(C(=O)C(F)(F)F)C1(C)C)C(=O)OC)C(=O)OC

IUPAC: 2',3',4,5-tetramethyl 5',5',9'-trimethyl-6'-(2,2,2-trifluoroacetyl)-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate

InChI: InChI=1S/C27H24F3NO9S3/c1-11-8-9-13-12(10-11)14-19(25(2,3)31(13)24(36)27(28,29)30)41-16(21(33)38-5)15(20(32)37-4)26(14)42-17(22(34)39-6)18(43-26)23(35)40-7/h8-10H,1-7H3

Composition: C (49.16%), H (3.67%), F (8.64%), N (2.12%), O (21.83%), S (14.58%)

Molar Mass: 659.66

Atom Count: 67

Heavy Atom Count: 43

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	659.056529368
Formal Charge	0
FSP3	0.37
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	BLDLAFIPEWGACP-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	157.16
Topological Polar Surface Area	125.51
Polarizability	59.09
Ring Count	4
Rotatable Bond Count	9

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H24F3NO9S3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00