2-(4-chlorophenyl)-4-(4-methanesulfonylphenyl)-1,3-thiazole

2-(4-chlorophenyl)-4-(4-methanesulfonylphenyl)-1,3-thiazole

CAS: 900019-16-1

Formula: C16H12ClNO2S2

SMILES: CS(=O)(=O)C1=CC=C(C=C1)C1=CSC(=N1)C1=CC=C(Cl)C=C1

IUPAC: 2-(4-chlorophenyl)-4-(4-methanesulfonylphenyl)-1,3-thiazole

InChI: InChI=1S/C16H12ClNO2S2/c1-22(19,20)14-8-4-11(5-9-14)15-10-21-16(18-15)12-2-6-13(17)7-3-12/h2-10H,1H3

Composition: C (54.93%), H (3.46%), Cl (10.13%), N (4.00%), O (9.15%), S (18.33%)

Molar Mass: 349.85

Atom Count: 34

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	348.9997987
Formal Charge	0
FSP3	0.06
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	DEEIIIYCCCKJHZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	99.94
Topological Polar Surface Area	47.03
Polarizability	37.17
Ring Count	3
Rotatable Bond Count	3

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90%	<2 Days	900019-16-1		$51.35-$86.31$51.35$63.37$86.31