sodium 4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxylate

sodium 4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxylate

CAS: 1923051-62-0

Formula: C8H8NNaO2S

SMILES: [Na+].[O-]C(=O)C1=NC2=C(CCCC2)S1

IUPAC: sodium 4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxylate

InChI: InChI=1S/C8H9NO2S.Na/c10-8(11)7-9-5-3-1-2-4-6(5)12-7;/h1-4H2,(H,10,11);/q;+1/p-1

Composition: C (46.82%), H (3.93%), N (6.83%), Na (11.20%), O (15.59%), S (15.62%)

Molar Mass: 205.21

Atom Count: 21

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	205.01734396
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	YKPJOBPJOJLDRP-UHFFFAOYSA-M
Lipinski's Rule of Five	1
Molar Refractivity	55.83
Topological Polar Surface Area	53.02
Polarizability	16.91
Ring Count	2
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<4 Days	1923051-62-0		$105.80-$2,213.75$105.80$234.60$921.15$951.05$2,213.75