6-amino-3-methyl-4-[5-(2,4,6-trichlorophenyl)thiophen-2-yl]-2H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

6-amino-3-methyl-4-[5-(2,4,6-trichlorophenyl)thiophen-2-yl]-2H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

Formula: C18H11Cl3N4OS

SMILES: CC1=C2C(C3=CC=C(S3)C3=C(Cl)C=C(Cl)C=C3Cl)C(C#N)=C(N)OC2=NN1

IUPAC: 6-amino-3-methyl-4-[5-(2,4,6-trichlorophenyl)thiophen-2-yl]-2H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

InChI: InChI=1/C18H11Cl3N4OS/c1-7-14-15(9(6-22)17(23)26-18(14)25-24-7)12-2-3-13(27-12)16-10(20)4-8(19)5-11(16)21/h2-5,15H,23H2,1H3,(H,24,25)

Composition: C (49.39%), H (2.53%), Cl (24.30%), N (12.80%), O (3.66%), S (7.32%)

Molar Mass: 437.72

Atom Count: 38

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	435.9719153
Formal Charge	0
FSP3	0.11
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	AZWCNSIUQIPTCD-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	118.54
Topological Polar Surface Area	87.72
Polarizability	41.86
Ring Count	4
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H11Cl3N4OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00