AG001DBT

1457-92-7 | 4-Methylbenzo-2,1,3-thiadiazole

AG001DBT

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CAS Number	1457-92-7
Catalog Number	AG001DBT(AGN-PC-0KL0TQ)
Chemical Name	4-Methylbenzo-2,1,3-thiadiazole
IUPAC Name	4-methyl-2,1,3-benzothiadiazole
InChI	InChI=1S/C7H6N2S/c1-5-3-2-4-6-7(5)9-10-8-6/h2-4H,1H3
InChI Key	IYZKISWGGPKREZ-UHFFFAOYSA-N
MDL Number	MFCD00126471
Molecular Formula	C7H6N2S
Molecular Weight	150.2009
SMILES	CC1=CC=CC2=NSN=C21
Synonyms	1457-92-7, 4-methyl-2,1,3-benzothiadiazole, 4-methylbenzo[c][1,2,5]thiadiazole, 4-Methylbenzo-2,1,3-thiadiazole, 2,1,3-Benzothiadiazole,4-methyl-, AC1MCZNC, ACMC-1BP6G, SCHEMBL762283, SCHEMBL20419905, CTK4C4700, DTXSID80381768, IYZKISWGGPKREZ-UHFFFAOYSA-N, ZINC162637, 4-methylbenzo[c]1,2,5-thiadiazole, ANW-20964, MFCD00126471, 2,1,3-Benzothiadiazole, 4-methyl-, AKOS006229226, AKOS032955028, PS-4468, 4-Methylbenzo[c][1,2,5]-thiadiazole, KS-00002A77, AJ-15927, CJ-02047, ZB007857, AB0053960, DB-026252, ST2405892, TR-005748, FT-0619000, FT-0658758, ST45022213, V3368, B-3394, I09-0977, I14-15830, C7H6N2S, 4-Methyl-benzo[1,2,5]thiadiazole, ZINC00162637, CID2781262, 4-Methyl-2,1,3-benzothiadiazole, 98% - 1G 1g,

Complexity	129
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	150.025g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	150.199g/mol
Monoisotopic Mass	150.025g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	54A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

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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