ethyl 2-amino-6,6-dioxo-4H,5H,7H-6lambda6-thieno[2,3-c]thiopyran-3-carboxylate
Basic information
- CAS
474843-59-9- Standard SMILES
CCOC(=O)c1c(N)sc2c1CCS(=O)(=O)C2- InChIKey
QXEOGEHYHZTZCA-UHFFFAOYSA-N- Molecular formula
- C10H13NO4S2
- Average molar mass
- 275.3 g/mol
- Monoisotopic mass
- 275.02860024
Names & identifiers
- Preferred name
- ethyl 2-amino-6,6-dioxo-4H,5H,7H-6lambda6-thieno[2,3-c]thiopyran-3-carboxylate
- IUPAC
- ethyl 2-amino-6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylate
- English name
- ETHYL 2-AMINO-4,7-DIHYDRO-5H-THIENO[2,3-C]THIOPYRAN-3-CARBOXYLATE 6,6-DIOXIDE
- Molecular formula
- C10H13NO4S2
- Molecular weight
- 275.34
Names & synonyms
474843-59-9ethyl 2-amino-6,6-dioxo-4H,5H,7H-6lambda6-thieno[2,3-c]thiopyran-3-carboxylateethyl 2-amino-6,6-dioxo-4H,5H,7H-6lambda6-thieno(2,3-c)thiopyran-3-carboxylateRefChem:594197993-024-4ethyl 2-amino-4,7-dihydro-5H-thieno[2,3-c]thiopyran-3-carboxylate 6,6-dioxideMLS000056020MFCD06655492ethyl 2-amino-6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylateSMR000068518Ethyl 2-Amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylate 6,6-DioxideCHEMBL1511543
Show more names
Ethyl 2-amino-6,6-dioxo-4h,5h,7h-6λ6-thieno[2,3-c]thiopyran-3-carboxylate5H-Thieno[2,3-c]thiopyran-3-carboxylic acid, 2-amino-4,7-dihydro-, ethyl ester, 6,6-dioxide
SCHEMBL13154867BDBM87643cid_2998518HMS2362D20AKOS008987372EBC-561101SY147978CS-0232602
Database identifiers
- CAS
474843-59-9- PubChem CID
- 2998518
- ChEMBL
CHEMBL1511543- EC Number
- 993-024-4
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 403
Physicochemical properties
- Boiling point
- 582.4 · 582.4±50.0 °C(Predicted)
- Density
- 1.456 · 1.456±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- -0.42 · -0.42±0.20(Predicted)
- Appearance
- Off-white to pink Solid
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%)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
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Compound notes
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