4-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfanyl]-4-oxobutanoic acid

4-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfanyl]-4-oxobutanoic acid

CAS: 301193-87-3

Formula: C16H12Cl2O3S

SMILES: OC(=O)C(CC(=O)C1=CC=C(Cl)C=C1)SC1=CC=C(Cl)C=C1

IUPAC: 4-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfanyl]-4-oxobutanoic acid

InChI: InChI=1/C16H12Cl2O3S/c17-11-3-1-10(2-4-11)14(19)9-15(16(20)21)22-13-7-5-12(18)6-8-13/h1-8,15H,9H2,(H,20,21)

Composition: C (54.10%), H (3.41%), Cl (19.96%), O (13.51%), S (9.03%)

Molar Mass: 355.23

Atom Count: 34

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	353.9884208
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	NUIKPFYSXNMSBI-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	89.01
Topological Polar Surface Area	54.37
Polarizability	34.68
Ring Count	2
Rotatable Bond Count	6

Suppliers

Key Organics Ltd

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	301193-87-3		$51.35-$524.40$51.35$63.37$86.31$524.40