2-(morpholin-4-yl)-1,3-benzothiazole-6-carboxylic acid

2-(morpholin-4-yl)-1,3-benzothiazole-6-carboxylic acid

CAS: 903166-19-8

Formula: C12H12N2O3S

SMILES: OC(=O)C1=CC=C2N=C(SC2=C1)N1CCOCC1

IUPAC: 2-(morpholin-4-yl)-1,3-benzothiazole-6-carboxylic acid

InChI: InChI=1S/C12H12N2O3S/c15-11(16)8-1-2-9-10(7-8)18-12(13-9)14-3-5-17-6-4-14/h1-2,7H,3-6H2,(H,15,16)

Composition: C (54.53%), H (4.58%), N (10.60%), O (18.16%), S (12.13%)

Molar Mass: 264.3

Atom Count: 30

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	264.056863428
Formal Charge	0
FSP3	0.33
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	CAVVSQULDMGLPU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	67.36
Topological Polar Surface Area	62.66
Polarizability	26.45
Ring Count	3
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<2 Days	903166-19-8		$179.40-$4,597.70$179.40$243.80$373.75$631.35$1,147.70$4,597.70