2-Pentylthiophene

C₉H₁₄SCAS 4861-58-9154.27 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₄S
Molar mass: 154.27 g/mol
Exact mass: 154.0816 Da
Density: 0.947 g/mL (at 18.7 °C)
Melting point: −59 °C
Boiling point: 118–120 °C (at 12 Torr)
logP: 3.48Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowed92.1% of notifiers
H312 Harmful in contact with skin89.5% of notifiers
H332 Harmful if inhaled89.5% of notifiers

Aggregated from 1,442 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number

4861-58-9

SMILES

CCCCCc1cccs1

InChIKey

NOYVOSGVFSEKPR-UHFFFAOYSA-N

InChI

InChI=1S/C9H14S/c1-2-3-4-6-9-7-5-8-10-9/h5,7-8H,2-4,6H2,1H3

Weigh it out

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

Names and synonyms

2 names

Thiophene, 2-pentyl-
2-n-Pentylthiophene

Work with 2-Pentylthiophene

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

2-Hexylthiophene18794-77-996 % similar 2-Octylthiophene880-36-496 % similar 2-Butylthiophene1455-20-588 % similar 2-Propylthiophene1551-27-573 % similar 2-(2-Ethylhexyl)thiophene4891-44-557 % similar 2-Ethylthiophene872-55-954 % similar 2-(Tributylstannyl)thiophene54663-78-452 % similar 5-(2-Thienyl)valeric acid21010-06-050 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook