Basic information
- CAS
1596-47-0- Standard SMILES
Cl.NCCC1CCS(=O)(=O)C1- InChIKey
IFBVUZIZESHHIC-UHFFFAOYSA-N- Molecular formula
- C6H14ClNO2S
- Average molar mass
- 199.7 g/mol
- Monoisotopic mass
- 199.0433776
Names & identifiers
- Preferred name
- 3-(2-Aminoethyl)-1lambda6-thiolane-1,1-dione hydrochloride
- IUPAC
- 2-(1,1-dioxothiolan-3-yl)ethanamine;hydrochloride
Names & synonyms
3-(2-aminoethyl)-1lambda6-thiolane-1,1-dione hydrochlorideRefChem:490616860-030-21596-47-0[2-(1,1-dioxidotetrahydro-3-thienyl)ethyl]amine hydrochlorideTetrahydro-3-thiophenethylamine 1,1-dioxide hydrochlorideMFCD016801552-(1,1-dioxothiolan-3-yl)ethanamine;hydrochloride3-(2-Aminoethyl)tetrahydrothiophene 1,1-dioxide hydrochloridebeta-1,1-Dioxo-3-tetrahydrothiophene ethylamine hydrochloride3-Thiophenethylamine, tetrahydro-, 1,1-dioxide, hydrochlorideSCHEMBL21879631
Show more names
DTXSID00936133BAA59647SY501572EN300-1212491[2-(1,1-Dioxidotetrahydro-3-thienyl)ethyl]amine HCl2-(1,1-Dioxidotetrahydro-3-thienyl)ethanamine hydrochlorideTetrahydro-?3-?thiopheneethanamine 1,?1-?dioxide hydrochloride3-(2-Aminoethyl)-1lambda~6~-thiolane-1,1-dione--hydrogen chloride (1/1)
Database identifiers
- CAS
1596-47-0- PubChem CID
- 200360
- DTXSID
DTXSID00936133- EC Number
- 860-030-2
Properties
Computed structural properties
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 192
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 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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