5-(2H-1,3-benzodioxol-5-ylmethyl)-3-methyl-1,3-thiazolidine-2,4-dione

5-(2H-1,3-benzodioxol-5-ylmethyl)-3-methyl-1,3-thiazolidine-2,4-dione

CAS: 865658-81-7

Formula: C12H11NO4S

SMILES: CN1C(=O)SC(CC2=CC3=C(OCO3)C=C2)C1=O

IUPAC: 5-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methyl-1,3-thiazolidine-2,4-dione

InChI: InChI=1/C12H11NO4S/c1-13-11(14)10(18-12(13)15)5-7-2-3-8-9(4-7)17-6-16-8/h2-4,10H,5-6H2,1H3

Composition: C (54.33%), H (4.18%), N (5.28%), O (24.12%), S (12.09%)

Molar Mass: 265.28

Atom Count: 29

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	265.040879012
Formal Charge	0
FSP3	0.33
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	OWLGSLNXPAPVIC-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.32
Topological Polar Surface Area	55.84
Polarizability	25.74
Ring Count	3
Rotatable Bond Count	2

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