3,3'-Dibromo-2,2'-bithiophene

C₈H₄Br₂S₂CAS 51751-44-1324.05 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₄Br₂S₂
Molar mass: 324.05 g/mol
Exact mass: 321.8121 Da
logP: 5.00Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed100% of notifiers
H318 Causes serious eye damage100% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, P501

Identifiers

CAS number

51751-44-1

SMILES

C1=CSC(=C1Br)C2=C(C=CS2)Br

InChIKey

KBRZCEVRNLKHAZ-UHFFFAOYSA-N

InChI

InChI=1S/C8H4Br2S2/c9-5-1-3-11-7(5)8-6(10)2-4-12-8/h1-4H

Weigh it out

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

Work with 3,3'-Dibromo-2,2'-bithiophene

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-Bromo-2-chlorothiophene40032-73-359 % similar 2,3-Dibromothiophene3140-93-057 % similar 7-Bromo-benzo[B]thiophene1423-61-650 % similar 4-Bromobenzo[b]thiophene5118-13-848 % similar 3-Bromo-2-thiophenecarbonitrile18791-98-546 % similar 3-Bromothiophene-2-carboxaldehyde930-96-146 % similar 3-Bromothieno(3,2-b)thiophene25121-83-942 % similar 3-Bromothiophene-2-carboxylic acid7311-64-041 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5,5'-Dibromo-2,2'-bithiophene4805-22-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook