4H,5H-thieno(3,2-c)pyridin-4-one

HCID 288525

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Basic information

CAS: 27685-92-3
Standard SMILES: O=c1[nH]ccc2sccc12
InChIKey: DUPNPBCUJHMSFZ-UHFFFAOYSA-N
Molecular formula: C7H5NOS
Average molar mass: 151.19 g/mol
Monoisotopic mass: 151.00918478

Names & identifiers

Preferred name: 4H,5H-thieno(3,2-c)pyridin-4-one
IUPAC: 5H-thieno[3,2-c]pyridin-4-one
English name: 4-HYDROXYTHIENO[3,2-C]PYRIDINE
Molecular formula: C7H5NOS
Molecular weight: 151.19

Names & synonyms

4H,5H-thieno[3,2-c]pyridin-4-one4H,5H-thieno(3,2-c)pyridin-4-oneRefChem:527249674-725-127685-92-3Thieno[3,2-c]pyridin-4-olThieno[3,2-c]pyridin-4(5H)-one4-Hydroxythieno[3,2-c]pyridine5H-thieno[3,2-c]pyridin-4-oneMFCD006739894-oxo-4,5-dihydrothieno[3,2-c]pyridineNSC149764

Show more names

O=c1[nH]ccc2sccc121. 4-Hydroxythieno[3,2-c]pyridinethieno[3,2-c]pyridin-4-ol - [T86272]4,5-Dihydrothieno[3,2-c]pyridine-4-one

2-ETHOXYCINNAMICACID4-Hydroxythieno[3,2-c]pSCHEMBL2435365SCHEMBL3342495SCHEMBL31097390DTXSID50302223Thieno[3,2-c]pyridin-4-ol #CBA68592

Database identifiers

CAS: 27685-92-3
PubChem CID: 288525
DTXSID: DTXSID50302223
EC Number: 674-725-1
Nikkaji: J124.117F

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 57.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 190

Physicochemical properties

Melting point: 212 °C · 212 °C
Boiling point: 406 · 406.0±45.0 °C(Predicted)
Density: 1.355 · 1.355±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 12.36 · 12.36±0.20(Predicted)
Appearance: Light yellow to yellow Solid
InChI: InChI=1S/C7H5NOS/c9-7-5-2-4-10-6(5)1-3-8-7/h1-4H,(H,8,9)
InChIKey: DUPNPBCUJHMSFZ-UHFFFAOYSA-N
SMILES: C1(=O)NC=CC2SC=CC1=2
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (50%): 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)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.