3-(Ethylamino)-1lambda6-thiolane-1,1-dione hydrochloride
Basic information
- CAS
1052552-74-5- Standard SMILES
CCNC1CCS(=O)(=O)C1.Cl- InChIKey
YXAPQTQTPBOJKS-UHFFFAOYSA-N- Molecular formula
- C6H14ClNO2S
- Average molar mass
- 199.7 g/mol
- Monoisotopic mass
- 199.0433776
Names & identifiers
- Preferred name
- 3-(Ethylamino)-1lambda6-thiolane-1,1-dione hydrochloride
- IUPAC
- N-ethyl-1,1-dioxothiolan-3-amine;hydrochloride
- English name
- N-(1,1-Dioxidotetrahydrothien-3-yl)-N-ethylamine hydrochloride
- Molecular formula
- C6H13NO2S.ClH
- Molecular weight
- 199.7
Names & synonyms
1052552-74-53-(ethylamino)-1lambda6-thiolane-1,1-dione hydrochlorideRefChem:495175959-993-2N-Ethyltetrahydrothiophen-3-amine 1,1-dioxide hydrochlorideMFCD066716273-(ethylamino)tetrahydrothiophene 1,1-dioxide hydrochlorideN-ethyltetrahydro-3-thiophenamine 1,1-dioxide hydrochlorideN-(1,1-Dioxidotetrahydrothien-3-yl)-n-ethylamine, HClN-(1,1-dioxidotetrahydrothien-3-yl)-N-ethylamine hydrochlorideN-ethyl-1,1-dioxothiolan-3-amine;hydrochlorideSCHEMBL21879630
Show more names
IFLAB-BB F1974-0013(1,1-Dioxidotetrahydro-3-thienyl)ethylamine hydrochloride
AKOS016396884AT13052BS-38796CS-0308050EN300-10627N-ethyl-1,1-dioxo-thiolan-3-amine;hydrochlorideF347184N-Ethyltetrahydro-3-thiophenamine 1,1-dioxide HCl
Database identifiers
- CAS
1052552-74-5- PubChem CID
- 16248236
- EC Number
- 959-993-2
Properties
Computed structural properties
- Topological polar surface area
- 54.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 192
Physicochemical properties
- form
- powder
- InChI
- 1S/C6H13NO2S.ClH/c1-2-7-6-3-4-10(8,9)5-6;/h6-7H,2-5H2,1H3;1H
- InChIKey
- YXAPQTQTPBOJKS-UHFFFAOYSA-N
- SMILES
- O=S(CC1NCC)(CC1)=O.[H]Cl
- UNSPSC Code
- 12352116 · 12352116
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H317-H319
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-36-38-43
- Safety Statements
- 26 · 26-36-37
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- wgk
- WGK 3
- risk_code
- 22-36-38-43
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36-37
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H317-H319
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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