(1R)-1-(thiophen-2-yl)ethan-1-ol

• ChemBase ID: 156457
• Molecular Formular: C6H8OS
• Molecular Mass: 128.19212
• Monoisotopic Mass: 128.02958588
• SMILES: C[C@H](c1cccs1)O
• Canonical SMILES: C[C@H](c1cccs1)O
• InChI: InChI=1S/C6H8OS/c1-5(7)6-3-2-4-8-6/h2-5,7H,1H3/t5-/m1/s1
• InChIKey: WUNFIVTVJXZDDJ-RXMQYKEDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R)-1-(thiophen-2-yl)ethan-1-ol
• IUPAC Traditional name: (1R)-1-(thiophen-2-yl)ethanol
• Synonyms: (1R)-α-Methyl-2-thiophenemethanol; (1R)-1-(2-Thienyl)ethanol; (1R)-alpha-Methyl-2-thiophenemethanol; (1R)-1-(thiophen-2-yl)ethan-1-ol; (1R)-α-甲基-2-噻吩甲醇; (1R)-1-(2-噻吩基)乙醇

Database IDs

• CAS Number: 86527-10-8
• MDL Number: MFCD06797334
• PubChem SID: 24845956; 162250595
• PubChem CID: 11062410

CALCULATED PROPERTIES

• Acid pKa: 14.349968
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.5353525
• LogD (pH = 7.4): 1.5353523
• Log P: 1.5353525
• Molar Refractivity: 34.1826 cm^3
• Polarizability: 13.285776 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 70°C/2.25mm
• Refractive Index: 1.5460
• Optical Rotation: [α]/D 26±1.5°, c = 1 in chloroform; +24 (neat)
• Hydrophobicity(logP): 1.059

Safety Information

• European Hazard Symbols: Irritant (Xi); Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-37/38-41; 36/38
• Safety Statements: 26-37; 26-39
• TSCA Listed: 否
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H315-H318-H335; H315-H319
• GHS Precautionary statements: P261-P280-P305 + P351 + P338; P280-P305+P351+P338-P302+P352-P321-P362-P332+P313
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥98.5% (GC); 95%; 98%, ee 98+%
• Grade: purum
• Optical Purity: enantiomeric ratio: ≥99:1
• Empirical Formula (Hill Notation): C6H8OS