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

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

Formula: C11H13NO4S2

SMILES: CC1=CC=C(C=C1)S(=O)(=O)N1CCSC1C(O)=O

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

InChI: InChI=1/C11H13NO4S2/c1-8-2-4-9(5-3-8)18(15,16)12-6-7-17-10(12)11(13)14/h2-5,10H,6-7H2,1H3,(H,13,14)

Composition: C (45.98%), H (4.56%), N (4.87%), O (22.27%), S (22.31%)

Molar Mass: 287.35

Atom Count: 31

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	287.028600251
Formal Charge	0
FSP3	0.36
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	QMMCDUMVSRECJR-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	69.35
Topological Polar Surface Area	74.68
Polarizability	27.67
Ring Count	2
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C11H13NO4S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00