AG007PQQ

1187830-61-0 | 3,4-Dihydro-1h-s,s-di-oxo-isothiochromen-4-amine, HCl

AG007PQQ

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CAS Number	1187830-61-0
Catalog Number	AG007PQQ(AGN-PC-03EPEA)
Chemical Name	3,4-Dihydro-1h-s,s-di-oxo-isothiochromen-4-amine, HCl
IUPAC Name	2,2-dioxo-3,4-dihydro-1H-isothiochromen-4-amine;hydrochloride
InChI	InChI=1S/C9H11NO2S.ClH/c10-9-6-13(11,12)5-7-3-1-2-4-8(7)9;/h1-4,9H,5-6,10H2;1H
InChI Key	JPSRQJVVIKWEKQ-UHFFFAOYSA-N
MDL Number	MFCD11616514
Molecular Formula	C9H12ClNO2S
Molecular Weight	233.7151
SMILES	NC1CS(CC2=C1C=CC=C2)(=O)=O.[H]Cl
Synonyms	1187830-61-0, 4-Aminoisothiochroman 2,2-dioxide hydrochloride, AK-77983, 3,4-Dihydro-1H-isosulfonyl-4-amine HCl, W-204998, 3,4-DIHYDRO-1H-S,S-DI-OXO-ISOTHIOCHROMEN-4-AMINE HCL, 4H-Amino-1,3-dihydroisothiochromen-1,1-dioxidehydrochloride, 4H-Amino-1,3-dihydroisothiochromen-1,1-dioxide HCl, CTK8B5366, DTXSID10671927, ZX-AT013579, ANW-48520, MFCD11616514, SC2381, SC3571, AKOS015919758, OR40611, BR-77983, DS-17267, AB1004510, AX8224277, TC-068735, CS-0060596, FT-0685572, ST24023290, X9290, 4-AMINOISOTHIOCHROMAN 2,2-DIOXIDE HCL, 4-Amino-2,2-dioxoisothiochromane Hydrochloride, S-7321, J-515442, 3,4-Dihydro-1h-s,s-di-oxo-isothiochromen-4-amine, HCl, Z2583036232, 2,2-dioxo-3,4-dihydro-1H-isothiochromen-4-amine;hydrochloride, 3,4-Dihydro-1H-isothiochromen-4-amine 2,2-dioxide hydrochloride, 4-Amino-3,4-dihydro-1H-2-benzothiopyran 2,2-dioxide hydrochloride, 4-amino-3,4-dihydro-1H-2??-benzothiopyran-2,2-dione hydrochloride, 4-Amino-3,4-dihydro-1H-isothiochromene 2,2-dioxide hydrochloride, 4-amino-3,4-dihydro-1H-2$l^{6}-benzothiopyran-2,2-dione hydrochloride, 4-amino-3,4-dihydro-1H-2lambda6-benzothiopyran-2,2-dione hydrochloride, 4-Amino-3,4-dihydro-2-benzothiopyran-2,2(1H)-dione--hydrogen chloride (1/1), null, C9H12ClNO2S, 4-Aminoisothiochroman2,2-dioxidehydrochloride, 3,4-Dihydro-1H-S,S-Di-oxo-isothiochromen-4-amine hydrochloride, 916420-33-2,

Complexity	281
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	233.028g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	233.71g/mol
Monoisotopic Mass	233.028g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	68.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number