thieno[2,3-b]thiophene

• ChemBase ID: 142975
• Molecular Formular: C6H4S2
• Molecular Mass: 140.22596
• Monoisotopic Mass: 139.97544213
• SMILES: c1csc2c1ccs2
• Canonical SMILES: c1cc2c(s1)scc2
• InChI: InChI=1S/C6H4S2/c1-3-7-6-5(1)2-4-8-6/h1-4H
• InChIKey: YHBTXTFFTYXOFV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: thieno[2,3-b]thiophene
• IUPAC Traditional name: thieno[2,3-b]thiophene
• Synonyms: Thieno[2,3-b]thiophene; Thieno[2,3-b]thiophene; 噻吩[2,3-b]噻吩

Database IDs

• CAS Number: 250-84-0
• MDL Number: MFCD02824126
• PubChem SID: 162237201
• PubChem CID: 136062

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.985016
• LogD (pH = 7.4): 2.985016
• Log P: 2.985016
• Molar Refractivity: 35.4284 cm^3
• Polarizability: 14.48517 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 199.4 °F; 93 °C
• Density: 1.326 g/cm3 at 25 °C
• Refractive Index: n20/D 1.668

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 95%; 95+%
• Empirical Formula (Hill Notation): C6H4S2

DETAILS

Sigma Aldrich - 702641

Packaging
1, 5 g in glass bottle