2-(2H-1,3-benzodioxol-5-yloxy)-4-methyl-1,3-thiazole-5-carboxylic acid

2-(2H-1,3-benzodioxol-5-yloxy)-4-methyl-1,3-thiazole-5-carboxylic acid

Formula: C12H9NO5S

SMILES: CC1=C(SC(OC2=CC=C3OCOC3=C2)=N1)C(O)=O

IUPAC: 2-(2H-1,3-benzodioxol-5-yloxy)-4-methyl-1,3-thiazole-5-carboxylic acid

InChI: InChI=1S/C12H9NO5S/c1-6-10(11(14)15)19-12(13-6)18-7-2-3-8-9(4-7)17-5-16-8/h2-4H,5H2,1H3,(H,14,15)

Composition: C (51.61%), H (3.25%), N (5.02%), O (28.64%), S (11.48%)

Molar Mass: 279.27

Atom Count: 28

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	279.020143568
Formal Charge	0
FSP3	0.17
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	XWMCYILKSZFGBP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.38
Topological Polar Surface Area	77.88
Polarizability	25.2
Ring Count	3
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C12H9NO5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00