3-(Methylamino)-1lambda6-thiolane-1,1-dione hydrochloride

HCID 2770817CAS 53287-53-9

Substructure search Find similar structures

Basic information

Standard SMILES: CNC1CCS(=O)(=O)C1.Cl
InChIKey: VCMVJUKSMDLDPE-UHFFFAOYSA-N
Molecular formula: C5H12ClNO2S
Average molar mass: 185.67 g/mol
Monoisotopic mass: 185.0277275

Names & identifiers

Preferred name: 3-(Methylamino)-1lambda6-thiolane-1,1-dione hydrochloride
IUPAC: N-methyl-1,1-dioxothiolan-3-amine;hydrochloride

Names & synonyms

3-(methylamino)-1lambda6-thiolane-1,1-dione hydrochlorideRefChem:495499825-839-753287-53-93-(methylamino)tetrahydrothiophene 1,1-dioxide hydrochlorideMFCD00456571N-methyl-1,1-dioxothiolan-3-amine;hydrochloride(1,1-dioxo-tetrahydro-1lambda6-thiophen-3-yl)-methyl-amine3-(Methylamino)sulfolane hydrochlorideN-methyltetrahydro-3-thiophenamine 1,1-dioxide hydrochlorideN-Methyltetrahydrothiophene-3-amine-1,1-dioxide hydrochloride(1,1-Dioxo-tetrahydrothiophen-3-yl)methylamine, hydrochloride

Show more names

(1,1-Dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-methyl-amine hydrochloride3-methylaminosulfolane(1,1-DIOXO-TETRAHYDROTHIOPHEN-3-YL)METHYLAMINE, HCL SALTAKOS003620498(1,1-Dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-methylamine hydrochlorideAURORA KA-7663SCHEMBL11200377TIMTEC-BB SBB005677

Database identifiers

CAS: 53287-53-9
PubChem CID: 2770817
EC Number: 825-839-7

Properties

Computed structural properties

Topological polar surface area: 54.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 180

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.