1-{4-[2-(methylsulfanyl)phenyl]piperazin-1-yl}prop-2-en-1-one

1-{4-[2-(methylsulfanyl)phenyl]piperazin-1-yl}prop-2-en-1-one

CAS: 2396580-47-3

Formula: C14H18N2OS

SMILES: CSC1=CC=CC=C1N1CCN(CC1)C(=O)C=C

IUPAC: 1-{4-[2-(methylsulfanyl)phenyl]piperazin-1-yl}prop-2-en-1-one

InChI: InChI=1S/C14H18N2OS/c1-3-14(17)16-10-8-15(9-11-16)12-6-4-5-7-13(12)18-2/h3-7H,1,8-11H2,2H3

Composition: C (64.09%), H (6.92%), N (10.68%), O (6.10%), S (12.22%)

Molar Mass: 262.37

Atom Count: 36

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	262.113984382
Formal Charge	0
FSP3	0.36
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	WXHAFBLOACZQCL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	78.21
Topological Polar Surface Area	23.55
Polarizability	29.48
Ring Count	2
Rotatable Bond Count	3

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97%	<2 Days	2396580-47-3		$51.35-$86.31$51.35$63.37$86.31