2-{[6-(4-chlorophenyl)-3-cyanopyridin-2-yl]sulfanyl}-N,N-dimethylacetamide

2-{[6-(4-chlorophenyl)-3-cyanopyridin-2-yl]sulfanyl}-N,N-dimethylacetamide

Formula: C16H14ClN3OS

SMILES: CN(C)C(=O)CSC1=NC(=CC=C1C#N)C1=CC=C(Cl)C=C1

IUPAC: 2-{[6-(4-chlorophenyl)-3-cyanopyridin-2-yl]sulfanyl}-N,N-dimethylacetamide

InChI: InChI=1S/C16H14ClN3OS/c1-20(2)15(21)10-22-16-12(9-18)5-8-14(19-16)11-3-6-13(17)7-4-11/h3-8H,10H2,1-2H3

Composition: C (57.92%), H (4.25%), Cl (10.68%), N (12.66%), O (4.82%), S (9.66%)

Molar Mass: 331.82

Atom Count: 36

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	331.054611
Formal Charge	0
FSP3	0.19
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	CUOMHHYDOOPYCM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	90.11
Topological Polar Surface Area	56.99
Polarizability	35.71
Ring Count	2
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H14ClN3OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00