4-(4-bromophenyl)-2-(4-chlorophenyl)thiomorpholine-3,5-dione

4-(4-bromophenyl)-2-(4-chlorophenyl)thiomorpholine-3,5-dione

CAS: 252027-07-9

Formula: C16H11BrClNO2S

SMILES: ClC1=CC=C(C=C1)C1SCC(=O)N(C1=O)C1=CC=C(Br)C=C1

IUPAC: 4-(4-bromophenyl)-2-(4-chlorophenyl)thiomorpholine-3,5-dione

InChI: InChI=1/C16H11BrClNO2S/c17-11-3-7-13(8-4-11)19-14(20)9-22-15(16(19)21)10-1-5-12(18)6-2-10/h1-8,15H,9H2

Composition: C (48.45%), H (2.80%), Br (20.14%), Cl (8.94%), N (3.53%), O (8.07%), S (8.08%)

Molar Mass: 396.68

Atom Count: 33

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	394.93824
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	DFYKNWGQRGOOMI-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	91.56
Topological Polar Surface Area	37.38
Polarizability	35.58
Ring Count	3
Rotatable Bond Count	2

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Key Organics Ltd

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Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	252027-07-9		$51.35-$86.31$51.35$63.37$86.31