AG002ZRR

30322-02-2 | 2H-1,4-Benzothiazin-3(4H)-one, 7-methyl-

AG002ZRR

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CAS Number	30322-02-2
Catalog Number	AG002ZRR(AGN-PC-0JUYY4)
Chemical Name	2H-1,4-Benzothiazin-3(4H)-one, 7-methyl-
IUPAC Name	7-methyl-4H-1,4-benzothiazin-3-one
InChI	InChI=1S/C9H9NOS/c1-6-2-3-7-8(4-6)12-5-9(11)10-7/h2-4H,5H2,1H3,(H,10,11)
InChI Key	ODJQMWDFNLNCTM-UHFFFAOYSA-N
MDL Number	MFCD02660690
Molecular Formula	C9H9NOS
Molecular Weight	179.2389
SMILES	CC=1C=CC2=C(SCC(N2)=O)C1
Synonyms	30322-02-2, 7-Methyl-1,4-benzothiazin-3-one, 7-methyl-2H-1,4-benzothiazin-3(4H)-one, 7-methyl-2H-benzo[b][1,4]thiazin-3(4H)-one, 7-Methyl-1,4-benzothiazin-3(4H)-one, 7-Methyl-1,4-benzothiazine-3-one, 7-methyl-2H,4H-benzo[e]1,4-thiazin-3-one, ACMC-1AEYA, AC1LENH9, AC1Q6GSX, SCHEMBL279937, CTK4G4977, ZINC58275, DTXSID00351049, ODJQMWDFNLNCTM-UHFFFAOYSA-N, ANW-26835, MFCD02660690, SBB037930, AKOS005062060, 7-methyl-4H-1,4-benzothiazin-3-one, MCULE-9767303048, KS-000014K7, ST085499, TC-115580, M1661, 2H-1,4-Benzothiazin-3(4H)-one,7-methyl-, 7-Methyl-1,4-benzothiazin-3(4H)-one, 97%, 7-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-one, AN-829/42007422, J-017910, TGX, AR-1H3733, CID689104, ZINC00058275, 3056-60-8,

Complexity	195
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	179.04g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	179.237g/mol
Monoisotopic Mass	179.04g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	54.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

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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