thieno[3,2-b]pyridin-7-ol

• ChemBase ID: 68515
• Molecular Formular: C7H5NOS
• Molecular Mass: 151.1857
• Monoisotopic Mass: 151.00918479
• SMILES: c12c(c(ccn1)O)scc2
• Canonical SMILES: Oc1ccnc2c1scc2
• InChI: InChI=1S/C7H5NOS/c9-6-1-3-8-5-2-4-10-7(5)6/h1-4H,(H,8,9)
• InChIKey: AACVULYSNJAKEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: thieno[3,2-b]pyridin-7-ol
• IUPAC Traditional name: thieno[3,2-b]pyridin-7-ol
• Synonyms: Thieno[3,2-b]pyridin-7-ol; Thieno[3,2-b]pyridin-7-ol; 噻吩并[3,2-b]-吡啶-7-醇; 噻吩并[3,2-b]吡啶-7-醇

Database IDs

• CAS Number: 107818-20-2
• MDL Number: MFCD01863636
• PubChem SID: 24873182; 162034246
• PubChem CID: 5074765

CALCULATED PROPERTIES

• Acid pKa: 9.571411
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7137003
• LogD (pH = 7.4): 1.7110229
• Log P: 1.7138832
• Molar Refractivity: 38.8501 cm^3
• Polarizability: 16.204212 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 224 - 226°C; 230-235 °C(lit.)
• Hydrophobicity(logP): -0.013

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 94%; 95%; 95+%; 96%
• Empirical Formula (Hill Notation): C7H5NOS

DETAILS

Sigma Aldrich - 498246

Packaging
5 g in glass bottle