Basic information
- CAS
36860-52-3- Standard SMILES
CCOC(=O)c1c(NC(C)=O)sc2c1C1CCN2CC1- InChIKey
WFDYVEFKQOEFJU-UHFFFAOYSA-N- Molecular formula
- C14H18N2O3S
- Average molar mass
- 294.37 g/mol
- Monoisotopic mass
- 294.10381361
Names & identifiers
- Preferred name
- Ethyl 2-(acetylamino)-5,6-dihydro-4H-4,7-ethanothieno(2,3-b)pyridine-3-carboxylate
- IUPAC
- ethyl 4-acetamido-3-thia-1-azatricyclo[5.2.2.02,6]undeca-2(6),4-diene-5-carboxylate
- English name
- 5,6-Dihydro-2-(acetylamino)-4H-4,7-ethanothieno(2,3-b)pyridine-3-carbo xylic acid ethyl ester
- Molecular weight
- 0
Names & synonyms
36860-52-34H-4,7-Ethanothieno(2,3-b)pyridine-3-carboxylic acid, 5,6-dihydro-2-(acetylamino)-, ethyl esterDTXSID60190350ethyl 2-(acetylamino)-5,6-dihydro-4h-4,7-ethanothieno[2,3-b]pyridine-3-carboxylateEthyl 2-(acetylamino)-5,6-dihydro-4H-4,7-ethanothieno(2,3-b)pyridine-3-carboxylateRefChem:1084775DTXCID70112841BRN 10137465,6-Dihydro-2-(acetylamino)-4H-4,7-ethanothieno(2,3-b)pyridine-3-carboxylic acid ethyl esterOprea1_652292CHEMBL1907373RCL R100676
Show more names
5,6-Dihydro-2-(acetylamino)-4H-4,7-ethanothieno(2,3-b)pyridine-3-carbo xylic acid ethyl ester
AKOS000669954EU-0011880AG-205/37267064Ethyl 2-acetamido-5,6-dihydro-4H-4,7-ethanothieno[2,3-b]pyridine-3-carboxylate
Database identifiers
- CAS
36860-52-3
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 86.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 409
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/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.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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