Basic information
- CAS
36860-49-8- Standard SMILES
CCOC(=O)c1c(N)sc2c1C1CCN2CC1- InChIKey
VEEARKIVPVIRAK-UHFFFAOYSA-N- Molecular formula
- C12H16N2O2S
- Average molar mass
- 252.33 g/mol
- Monoisotopic mass
- 252.09324893
Names & identifiers
- Preferred name
- Ethyl 2-amino-5,6-dihydro-4H-4,7-ethanothieno(2,3-b)pyridine-3-carboxylate
- IUPAC
- ethyl 4-amino-3-thia-1-azatricyclo[5.2.2.02,6]undeca-2(6),4-diene-5-carboxylate
- English name
- ethyl 2-amino-5,6-dihydro-4H-4,7-ethanothieno[2,3-b]pyridine-3-carboxylate
- Molecular formula
- C12H16N2O2S
- Molecular weight
- 252.33
Names & synonyms
36860-49-8ethyl 2-amino-5,6-dihydro-4H-4,7-ethanothieno[2,3-b]pyridine-3-carboxylate4H-4,7-Ethanothieno(2,3-b)pyridine-3-carboxylic acid, 5,6-dihydro-2-amino-, ethyl esterDTXSID50190349Ethyl 2-amino-5,6-dihydro-4H-4,7-ethanothieno(2,3-b)pyridine-3-carboxylateRefChem:1084789DTXCID10112840ethyl 4-amino-3-thia-1-azatricyclo[5.2.2.02,6]undeca-2(6),4-diene-5-carboxylate2-Amino-3-ethoxycarbonylthieno(2,3-b)quinuclidineethyl 4-amino-3-thia-1-azatricyclo[5.2.2.0,2,6]undeca-2(6),4-diene-5-carboxylateBRN 09928792-amino-3-ethoxycarbonylthieno[2,3-b]quinuclidine
Show more names
4H-4,7-Ethanothieno[2,3-b]pyridine-3-carboxylic acid, 2-amino-5,6-dihydro-, ethyl ester
ethyl 4-amino-5-thia-7-azatricyclo[5.2.2.0<2,6>]undeca-2(6),3-diene-3-carboxyl ate2-Amino-5,6-dihydro-4H-4,7-ethanothieno(2,3-b)pyridine-3-carboxylic acid ethyl esterOprea1_580858SCHEMBL4080036CHEMBL1617105VEEARKIVPVIRAK-UHFFFAOYSA-NLBA86049MFCD01727362
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 318
Physicochemical properties
- Melting point
- 146 · 146-147 °C
- Boiling point
- 424 · 424.0±45.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- pka
- 5.71 · 5.71±0.20(Predicted)
Chemistry & industry
Suppliers1 total
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…