ethyl 2-methyl-1,3-benzothiazole-6-carboxylate

ethyl 2-methyl-1,3-benzothiazole-6-carboxylate

CAS: 103646-25-9

Formula: C11H11NO2S

SMILES: CCOC(=O)C1=CC=C2N=C(C)SC2=C1

IUPAC: ethyl 2-methyl-1,3-benzothiazole-6-carboxylate

InChI: InChI=1S/C11H11NO2S/c1-3-14-11(13)8-4-5-9-10(6-8)15-7(2)12-9/h4-6H,3H2,1-2H3

Composition: C (59.71%), H (5.01%), N (6.33%), O (14.46%), S (14.49%)

Molar Mass: 221.27

Atom Count: 26

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	221.051049772
Formal Charge	0
FSP3	0.27
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	XLUVVPRHNXGQJG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.34
Topological Polar Surface Area	39.19
Polarizability	23.65
Ring Count	2
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	103646-25-9		$51.35-$225.06$51.35$63.37$86.31$143.12$225.06