N-[5-cyano-2-(methylsulfanyl)phenyl]-4-methoxybenzamide

N-[5-cyano-2-(methylsulfanyl)phenyl]-4-methoxybenzamide

CAS: 303147-29-7

Formula: C16H14N2O2S

SMILES: COC1=CC=C(C=C1)C(=O)NC1=C(SC)C=CC(=C1)C#N

IUPAC: N-[5-cyano-2-(methylsulfanyl)phenyl]-4-methoxybenzamide

InChI: InChI=1S/C16H14N2O2S/c1-20-13-6-4-12(5-7-13)16(19)18-14-9-11(10-17)3-8-15(14)21-2/h3-9H,1-2H3,(H,18,19)

Composition: C (64.41%), H (4.73%), N (9.39%), O (10.72%), S (10.75%)

Molar Mass: 298.36

Atom Count: 35

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	298.077598873
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	HJDDVGXCUUDYFP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	86.54
Topological Polar Surface Area	62.12
Polarizability	32.17
Ring Count	2
Rotatable Bond Count	4

Suppliers

Key Organics Ltd

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	303147-29-7		$51.35-$86.31$51.35$63.37$86.31