4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]benzonitrile

4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]benzonitrile

CAS: 866019-15-0

Formula: C12H10N2O2S

SMILES: CN1C(=O)SC(CC2=CC=C(C=C2)C#N)C1=O

IUPAC: 4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]benzonitrile

InChI: InChI=1/C12H10N2O2S/c1-14-11(15)10(17-12(14)16)6-8-2-4-9(7-13)5-3-8/h2-5,10H,6H2,1H3

Composition: C (58.52%), H (4.09%), N (11.37%), O (12.99%), S (13.02%)

Molar Mass: 246.28

Atom Count: 27

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	246.046298744
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	YJUDTODRMSCDNZ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.27
Topological Polar Surface Area	61.17
Polarizability	25.05
Ring Count	2
Rotatable Bond Count	2

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90%	<2 Days	866019-15-0		$51.35-$524.40$51.35$63.37$86.31$524.40