AG003NFU

22726-30-3 | 7-METHOXY-1,4-BENZOTHIAZIN-3-ONE

AG003NFU

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CAS Number	22726-30-3
Catalog Number	AG003NFU(AGN-PC-0JQPUM)
Chemical Name	7-METHOXY-1,4-BENZOTHIAZIN-3-ONE
IUPAC Name	7-methoxy-4H-1,4-benzothiazin-3-one
InChI	InChI=1S/C9H9NO2S/c1-12-6-2-3-7-8(4-6)13-5-9(11)10-7/h2-4H,5H2,1H3,(H,10,11)
InChI Key	ZITGVVWIRFDIBZ-UHFFFAOYSA-N
MDL Number	MFCD02660686
Molecular Formula	C9H9NO2S
Molecular Weight	195.2383
NSC Number	718741
SMILES	O=C1CSC2=CC(OC)=CC=C2N1
Synonyms	22726-30-3, 7-Methoxy-1,4-benzothiazin-3-one, 7-Methoxy-1,4-benzothiazin-3(4H)-one, 7-methoxy-2H-benzo[b][1,4]thiazin-3(4H)-one, 7-methoxy-2H-1,4-benzothiazin-3(4H)-one, MFCD02660686, 7-methoxy-2H,4H-benzo[e]1,4-thiazin-3-one, NSC718741, ACMC-209fyd, AC1L8LSW, AC1Q6GSZ, CHEMBL103879, SCHEMBL15631693, CTK4F0040, ZINC58272, DTXSID30328042, KS-000015WK, ANW-24947, SBB071471, AKOS015889620, MCULE-1645604413, NSC-718741, 7-methoxy-4H-1,4-benzothiazin-3-one, AS-38190, ST094942, TC-113692, CS-0046231, M1662, X6926, 2H-1,4-Benzothiazin-3(4H)-one,7-methoxy-, 7-Methoxy-2H-1,4-benzothiazine-3(4H)-one, 7-Methoxy-1,4-benzothiazin-3(4H)-one, 97%, AN-829/13872064, 7-methoxy-3,4-dihydro-2H-1,4-benzothiazin-3-one, J-014826, I01-19652, C9H9NO2S, AR-1H3649, CID403666, 22837-73-6,

Complexity	210
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	195.035g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	195.236g/mol
Monoisotopic Mass	195.035g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	63.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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