AG00CMN3

41972-62-7 | Benzo[d][1,2,3]thiadiazol-6-amine

AG00CMN3

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CAS Number	41972-62-7
Catalog Number	AG00CMN3(AGN-PC-0WCK1Q)
Chemical Name	Benzo[d][1,2,3]thiadiazol-6-amine
IUPAC Name	1,2,3-benzothiadiazol-6-amine
InChI	InChI=1S/C6H5N3S/c7-4-1-2-5-6(3-4)10-9-8-5/h1-3H,7H2
InChI Key	FHADHGAXUKFKHY-UHFFFAOYSA-N
MDL Number	MFCD20691248
Molecular Formula	C6H5N3S
Molecular Weight	151.1890
SMILES	S1N=NC2=C1C=C(C=C2)N
Synonyms	benzo[d][1,2,3]thiadiazol-6-amine, 41972-62-7, 1,2,3-benzothiadiazol-6-amine, 6-amino-1,2,3-benzothiadiazole, SCHEMBL1292012, 6-Amino-1,2,3,-benzothiadiazole, MFCD20691248, ZINC82840814, FCH1273455, AK321515, AS-48575, QC-11681, Y1635, C6H5N3S,

Complexity	130
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	151.02g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	151.187g/mol
Monoisotopic Mass	151.02g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	80A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

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