2,3-dimethylthiophene

• ChemBase ID: 91515
• Molecular Formular: C6H8S
• Molecular Mass: 112.19272
• Monoisotopic Mass: 112.03467126
• SMILES: s1ccc(c1C)C
• Canonical SMILES: Cc1sccc1C
• InChI: InChI=1S/C6H8S/c1-5-3-4-7-6(5)2/h3-4H,1-2H3
• InChIKey: BZYUMXXOAYSFOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dimethylthiophene
• IUPAC Traditional name: thiophene, 2,3-dimethyl-
• Synonyms: 2,3-Dimethylthiophene; 2,3-Dimethylthiophene; 2,3-二甲基噻吩

Database IDs

• CAS Number: 632-16-6
• MDL Number: MFCD00130081
• PubChem SID: 162078214
• PubChem CID: 34295

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.91297
• LogD (pH = 7.4): 2.91297
• Log P: 2.91297
• Molar Refractivity: 33.2613 cm^3
• Polarizability: 12.492531 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -49°C
• Boiling Point: 141-142°C; 142°C
• Flash Point: 26°C; 26°C (79°F)

Safety Information

• Storage Warning: Flammable/Harmful/Keep Cold
• European Hazard Symbols: X
• UN Number: UN1993
• Hazard Class: 3
• Packing Group: III
• Risk Statements: 10-20
• Safety Statements: 9-16-36-60
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS07
• GHS Hazard statements: H226-H332
• GHS Precautionary statements: P210-P241-P261-P303+P361+P353-P403+P235-P501A

Product Information

• Purity: 97%