AG002PNU

24851-69-2 | 5-Benzothiazolecarboxylic acid, 2-methyl-

AG002PNU

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CAS Number	24851-69-2
Catalog Number	AG002PNU(AGN-PC-0JUCKT)
Chemical Name	5-Benzothiazolecarboxylic acid, 2-methyl-
IUPAC Name	2-methyl-1,3-benzothiazole-5-carboxylic acid
InChI	InChI=1S/C9H7NO2S/c1-5-10-7-4-6(9(11)12)2-3-8(7)13-5/h2-4H,1H3,(H,11,12)
InChI Key	TVUFPZOJUJGDDD-UHFFFAOYSA-N
MDL Number	MFCD00498510
Molecular Formula	C9H7NO2S
Molecular Weight	193.2224
SMILES	CC1=NC2=C(S1)C=CC(=C2)C(O)=O
Synonyms	24851-69-2, 2-Methylbenzo[d]thiazole-5-carboxylic acid, 2-methyl-1,3-benzothiazole-5-carboxylic acid, 2-Methyl-benzothiazole-5-carboxylic acid, 2-methylbenzothiazole-5-carboxylic acid, 5-Benzothiazolecarboxylic acid, 2-methyl-, SMR000015267, MLS000030206, AK-78669, AC1LDLFR, AC1Q2PD7, cid_649953, SCHEMBL1105986, CHEMBL1480093, BDBM87603, CTK0J4554, KS-00000IVD, DTXSID50349491, TVUFPZOJUJGDDD-UHFFFAOYSA-N, HMS2396B08, ZINC873707, BCP09144, ZX-AL001070, ZX-CM001754, ANW-56675, MFCD00498510, AKOS000320290, CS-W019372, FCH1781098, FS-1873, MCULE-8154234969, 2-Methyl-5-benzothiazolecarboxylic acid, ACM24851692, 5-benzothiazolecarboxylic acid,2-methyl-, AC-30493, AJ-24087, AM803578, SC-30839, AB0054174, AX8183359, TR-042808, 4CH-003533, BB 0254413, FT-0698090, ST24028100, ST51050190, Z4494, M-9831, 5-Benzothiazolecarboxylicacid,2-methyl-(8CI,9CI), J-015699, 4000015-25G, InChI=1/C9H7NO2S/c1-5-10-7-4-6(9(11)12)2-3-8(7)13-5/h2-4H,1H3,(H,11,12, C9H7NO2S, CID649953, ACN-040237, 5-Benzothiazolecarboxylicacid,2-methyl-, 5-Benzothiazolecarboxylic acid, 2-methyl- (8CI,9CI),

Complexity	222
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	193.02g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	193.22g/mol
Monoisotopic Mass	193.02g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	78.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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