AG003571

188614-01-9 | Methyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate

AG003571

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CAS Number	188614-01-9
Catalog Number	AG003571(AGN-PC-0JV48X)
Chemical Name	Methyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate
IUPAC Name	methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate
InChI	InChI=1S/C10H9NO3S/c1-14-10(13)6-2-3-8-7(4-6)11-9(12)5-15-8/h2-4H,5H2,1H3,(H,11,12)
InChI Key	UFSVRHNRNVVBJR-UHFFFAOYSA-N
MDL Number	MFCD00449104
Molecular Formula	C10H9NO3S
Molecular Weight	223.2484
SMILES	O=C1NC2=C(SC1)C=CC(=C2)C(=O)OC
Synonyms	188614-01-9, Methyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate, methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate, methyl 3-oxo-3,4-dihydro-2H-benzo[b][1,4]thiazine-6-carboxylate, Methyl 3-Oxo-2H-1,4-benzothiazine-6-carboxylate, methyl 3,4-dihydro-3-oxo-2H-benzo[b][1,4]thiazine-6-carboxylate, MFCD00449104, methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate, 3-Oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylic acid methyl ester, PubChem13044, AC1LF8XL, AC1Q5ZKK, Oprea1_321390, KSC497G3B, MLS001005223, SCHEMBL750896, CHEMBL1541443, CTK3J7330, KS-00000BGW, ZINC78207, DTXSID00351403, UFSVRHNRNVVBJR-UHFFFAOYSA-N, HMS2686I15, ACT07414, ALBB-020421, methyl-3-oxo-3,4-dihydro-2h-1,, ANW-50398, CL3418, CM-754, SBB054058, AKOS001044267, AC-7549, AN-8897, CCG-114119, CS-W002612, MCULE-1591632045, QC-9107, RP05297, RTC-069193, TRA0054724, VZ32746, 11N-523S, AJ-10442, AK-23919, BR-23919, CJ-00617, SMR000348615, ST095726, SY007629, AB0005571, DB-011610, ST2413373, TC-069193, TL8006984, 4CH-009682, A4169, AM20060984, EU-0014280, FT-0650460, V0668, M-1924, Methyl3-Oxo-2H-1,4-benzothiazine-6-carboxylate, MFCD00449104 (97+%), 614M019, SR-01000506553, I14-1404, SR-01000506553-1, W-206378, Z16219595, 3-keto-4h-1,4-benzothiazine-6-carboxylic acid methyl ester, methyl 3-oxo-2,4-dihydro-1,4-benzothiazine-6-carboxylate, methyl 3,4-dihydro-3-oxo-2h-1,4-benzothiazine-6-carboxylate, methyl 3-oxo-2H,4H-benzo[3,4-e]1,4-thiazine-6-carboxylate, methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6- carboxylate, 2-methyl-3-oxo-3,4-dihydro-2h-1,4-benzothiazine-6-carboxylate, 2H-1,4-benzothiazine-6-carboxylic acid, 3,4-dihydro-3-oxo-, methyl ester, 3-Oxo-3,4-dihydro-2H-benzo[1,4]thiazine-6-carboxylic acid methyl ester, methyl 3-oxo-2H,4H-benzo[3,4-e]1,4-thiazaperhydroine-6-carboxylate, C10H9NO3S, AR-1J5199, CID699501, ZINC00078207, 85923-82-6,

Complexity	282
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	223.03g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	223.246g/mol
Monoisotopic Mass	223.03g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	80.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number