2-(3,4-dimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid

2-(3,4-dimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid

CAS: 72678-92-3

Formula: C12H15NO4S

SMILES: COC1=CC=C(C=C1OC)C1NC(CS1)C(O)=O

IUPAC: 2-(3,4-dimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid

InChI: InChI=1/C12H15NO4S/c1-16-9-4-3-7(5-10(9)17-2)11-13-8(6-18-11)12(14)15/h3-5,8,11,13H,6H2,1-2H3,(H,14,15)

Composition: C (53.52%), H (5.61%), N (5.20%), O (23.76%), S (11.90%)

Molar Mass: 269.32

Atom Count: 33

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	269.072179141
Formal Charge	0
FSP3	0.42
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	VVYKDOVBUSRSCZ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	68.2
Topological Polar Surface Area	67.79
Polarizability	27.14
Ring Count	2
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<7 Days	72678-92-3		$382.95$382.95