2-(benzylsulfanyl)-4-chloro-6-phenylpyrimidine-5-carbonitrile

2-(benzylsulfanyl)-4-chloro-6-phenylpyrimidine-5-carbonitrile

CAS: 303985-04-8

Formula: C18H12ClN3S

SMILES: ClC1=NC(SCC2=CC=CC=C2)=NC(C2=CC=CC=C2)=C1C#N

IUPAC: 2-(benzylsulfanyl)-4-chloro-6-phenylpyrimidine-5-carbonitrile

InChI: InChI=1S/C18H12ClN3S/c19-17-15(11-20)16(14-9-5-2-6-10-14)21-18(22-17)23-12-13-7-3-1-4-8-13/h1-10H,12H2

Composition: C (64.00%), H (3.58%), Cl (10.49%), N (12.44%), S (9.49%)

Molar Mass: 337.83

Atom Count: 35

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	337.0440463
Formal Charge	0
FSP3	0.06
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	AEXBGUMFZCKXCD-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	96.44
Topological Polar Surface Area	49.57
Polarizability	37.81
Ring Count	3
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	303985-04-8		$51.35-$524.40$51.35$63.37$86.31$524.40