N-[3-cyano-4-(methylsulfanyl)phenyl]-2-methylbenzamide

N-[3-cyano-4-(methylsulfanyl)phenyl]-2-methylbenzamide

CAS: 306980-87-0

Formula: C16H14N2OS

SMILES: CSC1=C(C=C(NC(=O)C2=C(C)C=CC=C2)C=C1)C#N

IUPAC: N-[3-cyano-4-(methylsulfanyl)phenyl]-2-methylbenzamide

InChI: InChI=1S/C16H14N2OS/c1-11-5-3-4-6-14(11)16(19)18-13-7-8-15(20-2)12(9-13)10-17/h3-9H,1-2H3,(H,18,19)

Composition: C (68.06%), H (5.00%), N (9.92%), O (5.67%), S (11.35%)

Molar Mass: 282.36

Atom Count: 34

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	282.082684253
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	OLSJLMKCYTUUPW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	85.11
Topological Polar Surface Area	52.89
Polarizability	31.42
Ring Count	2
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	306980-87-0		$51.35-$524.40$51.35$63.37$86.31$524.40