3-Aminotetrahydrothiopene 1,1-dioxide hydrochloride

HCID 2795201

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Basic information

CAS: 51642-03-6
Standard SMILES: Cl.NC1CCS(=O)(=O)C1
InChIKey: MGZQMSFXPSKBDY-UHFFFAOYSA-N
Molecular formula: C4H10ClNO2S
Average molar mass: 171.65 g/mol
Monoisotopic mass: 171.0120774

Names & identifiers

Preferred name: 3-Aminotetrahydrothiopene 1,1-dioxide hydrochloride
IUPAC: 1,1-dioxothiolan-3-amine;hydrochloride
English name: 3-Aminotetrahydro-1H-1lambda6-thiophene-1,1-dione hydrochloride
Molecular formula: C4H10ClNO2S
Molecular weight: 171.65

Names & synonyms

3-AMinotetrahydrothiopene 1,1-dioxide hydrochlorideRefChem:497815695-206-651642-03-63-Aminotetrahydrothiophene 1,1-dioxide hydrochloride1,1-dioxidotetrahydrothien-3-ylamine hydrochlorideMFCD004565841,1-dioxothiolan-3-amine;hydrochlorideTETRAHYDRO-3-THIOPHENAMINE 1,1-DIOXIDE HYDROCHLORIDE3-amino-1lambda-thiolane-1,1-dione hydrochloride(1,1-dioxidotetrahydro-3-thienyl)amine hydrochlorideTetrahydro-3-thiophenamine 1,1-dioxide HCl

Show more names

3-Aminosulfolane hydrochlorideTetrahydro-3-thiophenaMine 13-AMINOTHIOLANE-1,1-DIONE, HYDROCHLORIDE1,1-Dioxidotetrahydrothien-3-ylaMine, HCl3-AMINOTETRAHYDROTHIOPHENE 1,1-DIOXIDE HCL3-amino-1λ-thiolane-1,1-dione hydrochlorideTETRAHYDROTHIOPHEN-3-AMINIUM 1,1-DIOXIDE CHLORIDE

AKOS003621287F0802-00393-Thiophenamine, tetrahydro-, 1,1-dioxide, hydrochloride1,1-Dioxo-tetrahydrothiophen-3-ylamine, HClTetrahydrothiophen-3-amine 1,1-dioxide hydrochlorideSCHEMBL1071510DTXSID90383576MGZQMSFXPSKBDY-UHFFFAOYSA-N

Database identifiers

CAS: 51642-03-6
PubChem CID: 2795201
DTXSID: DTXSID90383576
EC Number: 695-206-6

Properties

Computed structural properties

Topological polar surface area: 68.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 167

Physicochemical properties

Melting point: 208 °C · 208 °C
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 271 · P271-P280
Hazard Codes: Xi
HazardClass: IRRITANT
HS Code: 2934999090 · 2934999090

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (96.8%): Harmful if swallowed [Warning Acute toxicity, oral]；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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 31 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.