2-Iodothiophene
Properties
- Molecular formula
- C4H3IS
- Molar mass
- 210.03 g/mol
- Exact mass
- 209.9000 Da
- Melting point
- −40 °C
- Boiling point
- 181 °C
- logP
- 2.35Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H302 Harmful if swallowed97.8% of notifiers
- H312 Harmful in contact with skin10.9% of notifiers
- H315 Causes skin irritation100% of notifiers
- H317 May cause an allergic skin reaction87% of notifiers
- H318 Causes serious eye damage87% of notifiers
- H319 Causes serious eye irritation13% of notifiers
- H332 Harmful if inhaled10.9% of notifiers
- H335 May cause respiratory irritation87% of notifiers
Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
3437-95-4SMILES
Ic1cccs1InChIKey
ROIMNSWDOJCBFR-UHFFFAOYSA-NInChI
InChI=1S/C4H3IS/c5-4-2-1-3-6-4/h1-3HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- Thiophene, 2-iodo-
- 2-Thienyl iodide
- α-Iodothiophene
- NSC 1082
Reactions
Work with 2-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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
Tris(2-thienyl)phosphine24171-89-945 % similar
2,2′-Bithiophene492-97-745 % similar
2-Thiophenethiol7774-74-541 % similar
2,5-Diiodothiophene625-88-740 % similar
2-Bromothiophene1003-09-439 % similar
Thiophen-2-ol17236-58-739 % similar
2-Methylthiophene554-14-339 % similar
2,2′-Dithiobis[thiophene]6911-51-939 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.