1,3-benzothiazole-6-carboxylic acid

1,3-benzothiazole-6-carboxylic acid

CAS: 3622-35-3

Formula: C8H5NO2S

SMILES: OC(=O)C1=CC=C2N=CSC2=C1

IUPAC: 1,3-benzothiazole-6-carboxylic acid

InChI: InChI=1S/C8H5NO2S/c10-8(11)5-1-2-6-7(3-5)12-4-9-6/h1-4H,(H,10,11)

Composition: C (53.62%), H (2.81%), N (7.82%), O (17.86%), S (17.89%)

Molar Mass: 179.19

Atom Count: 17

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	179.004099579
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	DMPZJACLHDWUFS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.38
Topological Polar Surface Area	50.19
Polarizability	17.97
Ring Count	2
Rotatable Bond Count	1

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Life Chemicals USA, Inc.

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95%	<7 Days	3622-35-3		$18.81-$153.45$18.81$19.80$21.78$52.47$101.97$153.45

OTAVA LTD.

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MFCD00111651

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AA BLOCKS INC

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95%	<6 Days	3622-35-3		$11.50-$77.05$11.50$16.10$77.05

Struchem co.,ltd

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Kinentia Biosciences LLC

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