Thieno[3,2-b]pyridin-7-ol - CAS 107818-20-2
Catalog: |
BB002133 |
Product Name: |
Thieno[3,2-b]pyridin-7-ol |
CAS: |
107818-20-2 |
Synonyms: |
4H-thieno[3,2-b]pyridin-7-one |
IUPAC Name: | 4H-thieno[3,2-b]pyridin-7-one |
Description: | Thieno[3,2-b]pyridin-7-ol (CAS# 107818-20-2) is a useful research chemical. |
Molecular Weight: | 151.19 |
Molecular Formula: | C7H5NOS |
Canonical SMILES: | C1=CNC2=C(C1=O)SC=C2 |
InChI: | InChI=1S/C7H5NOS/c9-6-1-3-8-5-2-4-10-7(5)6/h1-4H,(H,8,9) |
InChI Key: | AACVULYSNJAKEQ-UHFFFAOYSA-N |
Boiling Point: | 276.1 °C at 760 mmHg |
Melting Point: | 230-235 °C |
Purity: | 95 % |
Density: | 1.355 g/cm3 |
Appearance: | Tan to very dark brown powder, crystals or crystalline powder |
MDL: | MFCD01863636 |
LogP: | 2.00190 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021057256-A1 | Heterocyclic nitrogen compound, pharmaceutical composition containing same, preparation method therefor and use thereof | 20190929 |
WO-2021045279-A1 | Biomarker-based therapeutic composition | 20190906 |
CN-112771053-A | Biomarker-based therapeutic compositions | 20190906 |
EP-3819300-A1 | Biomarker-based therapeutic composition | 20190906 |
US-2021002292-A1 | Modulators of the nmda receptor | 20190703 |
PMID | Publication Date | Title | Journal |
15962942 | 20050601 | Prediction of genotoxicity of chemical compounds by statistical learning methods | Chemical research in toxicology |
Complexity: | 190 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 151.00918496 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 151.00918496 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 57.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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Pyridines
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