4-{[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}butanoyl chloride

4-{[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}butanoyl chloride

CAS: 870149-19-2

Formula: C16H14ClF3N2O2S

SMILES: COC1=CC=CC=C1C1=NC(SCCCC(Cl)=O)=NC(=C1)C(F)(F)F

IUPAC: 4-{[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}butanoyl chloride

InChI: InChI=1S/C16H14ClF3N2O2S/c1-24-12-6-3-2-5-10(12)11-9-13(16(18,19)20)22-15(21-11)25-8-4-7-14(17)23/h2-3,5-6,9H,4,7-8H2,1H3

Composition: C (49.17%), H (3.61%), Cl (9.07%), F (14.58%), N (7.17%), O (8.19%), S (8.20%)

Molar Mass: 390.81

Atom Count: 39

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	390.0416611
Formal Charge	0
FSP3	0.31
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	SNJIQQLHQVIGNA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	91.7
Topological Polar Surface Area	52.08
Polarizability	35.49
Ring Count	2
Rotatable Bond Count	8

Suppliers

Crea-Chim UAB

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<7 Days	870149-19-2		$254.80$254.80