3-Iodothiophene

C₄H₃ISCAS 10486-61-0210.03 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₄H₃IS
Molar mass: 210.03 g/mol
Exact mass: 209.9000 Da
Melting point: −13.4 °C
Boiling point: 77 °C (at 11 Torr)
logP: 2.35Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Warning

H227 Combustible liquid12.5% of notifiers
H302 Harmful if swallowed12.5% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation37.5% of notifiers

Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, P501

Identifiers

CAS number

10486-61-0

SMILES

Ic1ccsc1

InChIKey

WGKRMQIQXMJVFZ-UHFFFAOYSA-N

InChI

InChI=1S/C4H3IS/c5-4-1-2-6-3-4/h1-3H

Weigh it out

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

Names and synonyms

2 names

Thiophene, 3-iodo-
3-Thienyl iodide

Work with 3-Iodothiophene

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

3,3'-Bithiophene3172-56-345 % similar 3-Chlorothiophene17249-80-839 % similar Thiophen-3-amine17721-06-139 % similar 3-Methylthiophene616-44-439 % similar 3-Bromothiophene872-31-139 % similar 1,4-Diiodobenzene624-38-439 % similar 3-Phenylthiophene2404-87-736 % similar 3-Thiophenecarbonitrile1641-09-435 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Iodothiophene3437-95-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook