AG002CVQ

20061-46-5 | 5-Benzothiazolecarboxaldehyde, 2-methyl-

AG002CVQ

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CAS Number	20061-46-5
Catalog Number	AG002CVQ(AGN-PC-0KEME2)
Chemical Name	5-Benzothiazolecarboxaldehyde, 2-methyl-
IUPAC Name	2-methyl-1,3-benzothiazole-5-carbaldehyde
InChI	InChI=1S/C9H7NOS/c1-6-10-8-4-7(5-11)2-3-9(8)12-6/h2-5H,1H3
InChI Key	PONNYPGVGULWMI-UHFFFAOYSA-N
MDL Number	MFCD02690143
Molecular Formula	C9H7NOS
Molecular Weight	177.2230
SMILES	CC=1SC2=C(N1)C=C(C=C2)C=O
Synonyms	2-Methylbenzo[d]thiazole-5-carbaldehyde, 20061-46-5, 5-Benzothiazolecarboxaldehyde, 2-methyl-, 2-METHYL-BENZOTHIAZOLE-5-CARBALDEHYDE, 2-methyl-1,3-benzothiazole-5-carbaldehyde, 2-Methylbenzothiazole-5-carbaldehyde, 2-Methyl-5-benzothiazolecarboxaldehyde, AC1M4J6F, SCHEMBL2963197, CTK0J9471, DTXSID00368011, PONNYPGVGULWMI-UHFFFAOYSA-N, ZINC3167988, 0310AB, ANW-57994, FCH829250, MFCD02690143, 2-methylbenzothiazole-5-carboxaldehyde, AKOS006240966, MCULE-1877474267, NE63719, ACM20061465, AJ-44688, AK-64415, AS-55126, SC-30705, AX8212426, DB-066049, TC-146739, FT-0741910, ST24022345, C9H7NOS, ZINC03167988, CID2308820, 5-Benzothiazolecarboxaldehyde, 2-methyl- (8CI,9CI),

Complexity	185
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	177.025g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	177.221g/mol
Monoisotopic Mass	177.025g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	58.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

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