Ethyl 3-aminothieno[2,3-b]pyridine-2-carboxylate

HCID 738459

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Basic information

CAS: 52505-46-1
Standard SMILES: CCOC(=O)c1sc2ncccc2c1N
InChIKey: HNLWHNQYBCCNLL-UHFFFAOYSA-N
Molecular formula: C10H10N2O2S
Average molar mass: 222.27 g/mol
Monoisotopic mass: 222.04629856

Names & identifiers

Preferred name: Ethyl 3-aminothieno[2,3-b]pyridine-2-carboxylate
IUPAC: ethyl 3-aminothieno[2,3-b]pyridine-2-carboxylate
English name: Ethyl 3-aminothieno[2,3-b]pyridine-2-carboxylate
Molecular formula: C10H10N2O2S
Molecular weight: 222.26

Names & synonyms

ethyl 3-aminothieno[2,3-b]pyridine-2-carboxylateDTXSID30353339Thieno[2,3-b]pyridine-2-carboxylic acid, 3-amino-, ethyl esterethyl 3-aminothieno(2,3-b)pyridine-2-carboxylateThieno(2,3-b)pyridine-2-carboxylic acid, 3-amino-, ethyl esterRefChem:594874DTXCID30304402987-894-452505-46-1MFCD00173981SCHEMBL258432AKOS000100831

Show more names

AKOS 942973-aminothieno[2,3-b]pyridine-2-carboxylic acid ethyl ester

CCG-127291PS-3728IDI1_015614P10091SR-00000002604-1Z2748001783-AMINO-THIENO[2,3-B]PYRIDINE-2-CARBOXYLIC ACID ETHYL ESTERethyl 3-aminothiopheno[2,3-b]pyridine-2-carboxylate

Database identifiers

CAS: 52505-46-1
PubChem CID: 738459
DTXSID: DTXSID30353339
ChEMBL: CHEMBL5486637
EC Number: 987-894-4
Nikkaji: J2.282.621B

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 93.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 250

Physicochemical properties

Melting point: 183 °C · 183 °C
Boiling point: 386 · 386.0±37.0 °C(Predicted)
Density: 1.364 · 1.364±0.06 g/cm3(Predicted)
storage temp.: 2 · Storage temp. 2-8°C
pka: 4.96 · 4.96±0.40(Predicted)
Appearance: Light yellow to yellow Solid
CAS DataBase Reference: 52505 · 52505-46-1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: Xi
Hazard Note: Irritant
HS Code: 2934999090 · 2934999090

Safety & regulation

GHS classification

GHS Classification · 4 items

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.