Thiophene
Properties
- Molecular formula
- C4H4S
- Molar mass
- 84.14 g/mol
- Exact mass
- 84.0034 Da
- Density
- 1.0649 g/mL (at 20 °C)
- Melting point
- −39.4 °C
- Boiling point
- 84 °C
- Flash point
- -1.1 °C (closed cup)
- Water solubility
- < 1 g/L (23.9 °C)
- logP
- 1.75Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H225 Highly Flammable liquid and vapor98.5% of notifiers
- H302 Harmful if swallowed67% of notifiers
- H312 Harmful in contact with skin19.7% of notifiers
- H315 Causes skin irritation68.8% of notifiers
- H318 Causes serious eye damage36.1% of notifiers
- H319 Causes serious eye irritation51.2% of notifiers
- H331 Toxic if inhaled13.6% of notifiers
- H332 Harmful if inhaled30.2% of notifiers
- H335 May cause respiratory irritation36.1% of notifiers
- H412 Harmful to aquatic life with long lasting effects57% of notifiers
Aggregated from 391 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
110-02-1SMILES
c1ccsc1InChIKey
YTPLMLYBLZKORZ-UHFFFAOYSA-NInChI
InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4HWeigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
13 names · show all
- Divinylene sulfide
- Thiofurfuran
- Thiole
- Thiotetrole
- Furan, thio-
- Thiacyclopentadiene
- Thiaphene
- Thiofuran
- Huile H50
- Huile HSO
- Thiophen
- CP 34
- NSC 405073
Reactions
Safety data sheets
One stored sheet lists this compound in section 3, matched by the CAS number 110-02-1. Each row opens the sheet with its composition and PDF.
Work with Thiophene
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern