2-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-6-(4-methylphenyl)pyridine-3-carbonitrile

2-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-6-(4-methylphenyl)pyridine-3-carbonitrile

Formula: C21H15ClN2O2S

SMILES: CC1=CC=C(C=C1)C1=CC=C(C#N)C(SCC2=CC3=C(OCO3)C=C2Cl)=N1

IUPAC: 2-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-6-(4-methylphenyl)pyridine-3-carbonitrile

InChI: InChI=1S/C21H15ClN2O2S/c1-13-2-4-14(5-3-13)18-7-6-15(10-23)21(24-18)27-11-16-8-19-20(9-17(16)22)26-12-25-19/h2-9H,11-12H2,1H3

Composition: C (63.88%), H (3.83%), Cl (8.98%), N (7.09%), O (8.10%), S (8.12%)

Molar Mass: 394.87

Atom Count: 42

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	394.0542766
Formal Charge	0
FSP3	0.14
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	LZPLTCVWJTUUKM-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	107.73
Topological Polar Surface Area	55.14
Polarizability	42.8
Ring Count	4
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H15ClN2O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00