AG01A5DD

64404-51-9 | 5,7-dimethoxy-2,3-dihydro-1,2-benzothiazole-1,1,3-trione

AG01A5DD

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CAS Number	64404-51-9
Catalog Number	AG01A5DD(AGN-PC-0OEQHV)
Chemical Name	5,7-dimethoxy-2,3-dihydro-1,2-benzothiazole-1,1,3-trione
IUPAC Name	5,7-dimethoxy-1,1-dioxo-1,2-benzothiazol-3-one
InChI	InChI=1S/C9H9NO5S/c1-14-5-3-6-8(7(4-5)15-2)16(12,13)10-9(6)11/h3-4H,1-2H3,(H,10,11)
InChI Key	RMIMOFZZDXCGRA-UHFFFAOYSA-N
MDL Number	MFCD24369284
Molecular Formula	C9H9NO5S
Molecular Weight	243.2365
SMILES	COC=1C=C(C2=C(C(NS2(=O)=O)=O)C1)OC
Synonyms	64404-51-9, 5,7-Dimethoxybenzo[d]isothiazol-3(2H)-one 1,1-dioxide, 5,7-Dimethoxysaccharin, SCHEMBL18726091, MFCD24369284, ZINC95221102, AKOS033742740, CS-0088610, Z2028214437, 5,7-dimethoxy-2,3-dihydro-1,2-benzothiazole-1,1,3-trione, 5,7-dimethoxy-2,3-dihydro-1$l^{6},2-benzothiazole-1,1,3-trione, 5,7-dimethoxy-2,3-dihydro-1lambda,2-benzothiazole-1,1,3-trione, 5,7-dimethoxy-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione, 5-Methoxy-7-methoxy-3-oxo-2,3-dihydro-1,2-benzoisothiazole 1,1-dioxide,

Complexity	387
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	243.02g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	243.233g/mol
Monoisotopic Mass	243.02g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	90.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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