2-Vinylthiophene

C₆H₆SCAS 1918-82-7110.17 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₆S
Molar mass: 110.17 g/mol
Exact mass: 110.0190 Da
logP: 2.39Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Warning

H226 Flammable liquid and vapor80% of notifiers
H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled20% of notifiers
H302 Harmful if swallowed20% of notifiers
H312 Harmful in contact with skin20% of notifiers
H315 Causes skin irritation60% of notifiers
H319 Causes serious eye irritation60% of notifiers
H332 Harmful if inhaled20% of notifiers
H335 May cause respiratory irritation60% of notifiers

Aggregated from 5 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, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

1918-82-7

SMILES

C=CC1=CC=CS1

InChIKey

ORNUPNRNNSVZTC-UHFFFAOYSA-N

InChI

InChI=1S/C6H6S/c1-2-6-4-3-5-7-6/h2-5H,1H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names

2-Ethenylthiophene
Thiophene, 2-ethenyl-
Thiophene, ethenyl-
2-Viniylthiophene
2-Vinyl-thiophene
2-Vinylthiophene (stabilized with BHT)
1-(2-Thienyl)ethene
Vinyl thiophene
Thien-2-ylethene
2-Vinyl thiophene

Reactions

2-VINYLTHIOPHENE (Thiophene, 2-vinyl-)product

Work with 2-Vinylthiophene

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Thiophene-2-carboxaldehyde98-03-352 % similar Thiophene-2-aldoxime29683-84-946 % similar 3-(2-Thienyl)-2-propenoic acid1124-65-839 % similar 3-(2-Thienyl)acrylic acid15690-25-239 % similar (E)-2-(2-Nitroethenyl)thiophene34312-77-139 % similar 4-(2-Thienyl)-3-buten-2-one874-83-939 % similar 2-(2-Nitroethenyl)thiophene874-84-039 % similar 2,2′-Bithiophene492-97-739 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Thiophenol108-98-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook