2-chloro-5-fluoro-4-(methylsulfanyl)pyrimidine

2-chloro-5-fluoro-4-(methylsulfanyl)pyrimidine

CAS: 87789-51-3

Formula: C5H4ClFN2S

SMILES: CSC1=NC(Cl)=NC=C1F

IUPAC: 2-chloro-5-fluoro-4-(methylsulfanyl)pyrimidine

InChI: InChI=1S/C5H4ClFN2S/c1-10-4-3(7)2-8-5(6)9-4/h2H,1H3

Composition: C (33.62%), H (2.26%), Cl (19.85%), F (10.64%), N (15.68%), S (17.95%)

Molar Mass: 178.61

Atom Count: 14

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	177.9767752
Formal Charge	0
FSP3	0.2
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	JORGKVXNFHVPKA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	41.51
Topological Polar Surface Area	25.78
Polarizability	15.26
Ring Count	1
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	87789-51-3		$60.53-$351.82$60.53$208.07$351.82