5-(5-methylthiophen-2-yl)thiophene-2-carbaldehyde

• ChemBase ID: 143112
• Molecular Formular: C10H8OS2
• Molecular Mass: 208.29992
• Monoisotopic Mass: 208.00165688
• SMILES: Cc1ccc(s1)c1ccc(s1)C=O
• Canonical SMILES: O=Cc1ccc(s1)c1ccc(s1)C
• InChI: InChI=1S/C10H8OS2/c1-7-2-4-9(12-7)10-5-3-8(6-11)13-10/h2-6H,1H3
• InChIKey: HLFSBWRCOPCECM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(5-methylthiophen-2-yl)thiophene-2-carbaldehyde
• IUPAC Traditional name: 5-(5-methylthiophen-2-yl)thiophene-2-carbaldehyde
• Synonyms: 5-(5-Methylthiophen-2-yl)thiophene-2-carbaldehyde; 5-(5-甲基噻吩-2-基)噻吩-2-甲醛

Database IDs

• CAS Number: 32358-94-4
• MDL Number: MFCD01812660
• PubChem SID: 162237334
• PubChem CID: 4987278

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.6655698
• LogD (pH = 7.4): 3.6655698
• Log P: 3.6655698
• Molar Refractivity: 56.3984 cm^3
• Polarizability: 22.26513 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 96-100 °C

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-38
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C10H8OS2

DETAILS

Sigma Aldrich - 709344

Packaging
1 g in glass bottle