Thiophene

• CAS: 110-02-1
• Catalog Number: ACM110021
• Category: Thiophenes
• Molecular Weight: 84.14g/mol
• Molecular Formula: C4H4S;SCH=CHCH=CH;C4H4S
• Description: Thiophene appears as a colorless liquid with an unpleasant odor. Insoluble in water and slightly denser than water. Flash point 30°F. Vapors heavier than air. Irritates the skin, eyes, and mucous membranes. Used to make pharmaceuticals and dyes.;Liquid;COLOURLESS LIQUID WITH PUNGENT ODOUR.
• Synonyms: Thiacyclopentadiene;Divinylene sulfide
• IUPAC Name: thiophene
• Canonical SMILES: C1=CSC=C1
• InChI: InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H
• InChI Key: YTPLMLYBLZKORZ-UHFFFAOYSA-N
• Boiling Point: 183.9 °F at 760 mm Hg (NTP, 1992);84.0 °C;84.0 °C @ 760 MM HG;84 °C
• Melting Point: -36.8 °F (NTP, 1992);-39.4 °C;Mp -38.3 °;-39.4 °C;-38.3°C;-38 °C
• Flash Point: 30 °F (NTP, 1992);30 °F (-1 °C) (CLOSED CUP);-1 °C
• Density: 1.0649 at 68 °F (NTP, 1992);d204 1.06;1.06494 @ 20 °C/4 °C;Relative density (water = 1): 1.06
• Solubility: less than 1 mg/mL at 75° F (NTP, 1992);0.04 M;3.01 mg/mL at 25 °C;MISCIBLE IN ETHANOL, ETHER, ACETONE, AND BENZENE.;SOL IN ALL PROPORTIONS IN ORDINARY ORG SOLVENTS, CARBON TETRACHLORIDE, DIOXANE, PYRIMIDINE, TOLUENE;water solubility = 3,020 mg/l @ 25 °C;3.01 mg/mL at 25 °C;Solubility in water: none
• Appearance: Colorless Clear Liquid
• Autoignition Temperature: 395 °C
• Color/Form: COLORLESS LIQUID
• Complexity: 22.8
• Covalently-Bonded Unit Count: 1
• Decomposition: WHEN HEATED TO DECOMPOSITION IT EMITS HIGHLY TOXIC FUMES OF SULFUR OXIDES.;May be heated to 850 °C without decomposition.
• EC Number: 203-729-4
• Exact Mass: 84.003371g/mol
• Formal Charge: 0
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• Heat of Vaporization: 32.483 kJ/mol
• Heavy Atom Count: 5
• ICSC Number: 1190
• LogP: 1.81 (LogP);1.81;log Kow = 1.81;1.81;1.81
• Monoisotopic Mass: 84.003371g/mol
• NSC Number: 405073
• Odor: SLIGHT AROMATIC ODOR RESEMBLING BENZENE
• Other Experimental: CYCLIC ORGANOSULFUR; HIGHLY REACTIVE;MAY BE HEATED TO 850 °C WITHOUT DECOMP;hydroxyl radical rate constant = 9.53X10-12 cu m/molc-sec @ 25 °C
• Refractive Index: n20D 1.5246;INDEX OF REFRACTION: 1.52684 @ 25 °C/D
• Rotatable Bond Count: 0
• RTECS Number: XM7350000
• UNII: SMB37IQ40B
• UN Number: 2414;2414;2414;2414
• Vapor Density: 2.9 (NTP, 1992) (Relative to Air);2.9 (AIR= 1);Relative vapor density (air = 1): 2.9
• Vapor Pressure: 20 mm Hg at 32 °F ; 60 mm Hg at 68.2° F; 760 mm Hg at 183.9° F (NTP, 1992);79.67 mmHg;79.7 mm Hg @ 25 °C;Vapor pressure, kPa at 12.5 °C: 5.3
• Viscosity: 0.621 mPa.s
• XLogP3: 1.8

Custom Q&A

What is the molecular formula of thiophene?

The molecular formula of thiophene is C4H4S.

What is the molecular weight of thiophene?

The molecular weight of thiophene is 84.14 g/mol.

Is thiophene soluble in water?

No, thiophene is insoluble in water.

What is the odor of thiophene?

Thiophene has an unpleasant odor.

What is the flash point of thiophene?

The flash point of thiophene is 30 °F.

What are the synonyms for thiophene?

The synonyms for thiophene include Thiofuran, Thiole, and Thiophen.

What is the IUPAC name of thiophene?

The IUPAC name of thiophene is thiophene.

What is the InChI of thiophene?

The InChI of thiophene is InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H.

What is the InChIKey of thiophene?

The InChIKey of thiophene is YTPLMLYBLZKORZ-UHFFFAOYSA-N.

What is the role of thiophene as a non-polar solvent?

Thiophene has a role as a non-polar solvent.