AG00D9HB

53287-53-9 | (1,1-Dioxo-tetrahydrothiophen-3-yl)methylamine, HCl salt

AG00D9HB

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CAS Number	53287-53-9
Catalog Number	AG00D9HB(AGN-PC-0KKTXS)
Chemical Name	(1,1-Dioxo-tetrahydrothiophen-3-yl)methylamine, HCl salt
IUPAC Name	N-methyl-1,1-dioxothiolan-3-amine;hydrochloride
InChI	InChI=1S/C5H11NO2S.ClH/c1-6-5-2-3-9(7,8)4-5;/h5-6H,2-4H2,1H3;1H
InChI Key	VCMVJUKSMDLDPE-UHFFFAOYSA-N
MDL Number	MFCD00456571
Molecular Formula	C5H12ClNO2S
Molecular Weight	185.6723
SMILES	CNC(CC1)CS1(=O)=O.[H]Cl
Synonyms	53287-53-9, 3-(methylamino)tetrahydrothiophene 1,1-dioxide hydrochloride, (1,1-Dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-methylamine hydrochloride, N-Methyltetrahydrothiophene-3-amine-1,1-dioxide hydrochloride, N-(1,1-dioxidotetrahydrothien-3-yl)-N-methylamine hydrochloride, (1,1-dioxo-tetrahydro-1lambda6-thiophen-3-yl)-methyl-amine, 3-(Methylamino)sulfolane hydrochloride, AC1MCJ0P, AC1Q3BQE, SCHEMBL11200377, CTK8B3424, VCMVJUKSMDLDPE-UHFFFAOYSA-N, ANW-42503, MFCD00456571, AKOS024253845, MCULE-5985986692, FT-0613797, ST24022590, EN300-08032, K-9661, N-methyl-1,1-dioxothiolan-3-amine hydrochloride, F1040-0002, (1,1-Dioxidotetrahydro-3-thienyl)methylamine hydrochloride, 3-(methylamino)-1$l^{6}-thiolane-1,1-dione hydrochloride, 3-(methylamino)-1lambda-thiolane-1,1-dione hydrochloride, N-methyltetrahydro-3-thiophenamine 1,1-dioxide hydrochloride, N-Methyltetrahydrothiophen-3-amine 1,1-dioxide hydrochloride, (1,1-DIOXO-TETRAHYDROTHIOPHEN-3-YL)METHYLAMINE, HCL SALT, (1,1-Dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-methyl-amine hydrochloride, (1,1-Dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)methylamine hydrochloride, (1,1-DIOXO-TETRAHYDRO-THIOPHEN-3-YL)-METHYL-AMINE, HYDROCHLORIDE, -METHYL-AMINE, CID2770817, N-methyl-1,1-dioxo-thiolan-3-amine Hydrochloride, 3-(Aminomethyl)tetrahydrothiophene 1,1-dioxide hydrochloride, 3193-51-9, 51070-55-4,

Complexity	180
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	185.028g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	185.666g/mol
Monoisotopic Mass	185.028g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	54.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

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