chempirical

2,5-Dichlorothiophene

C4H2Cl2SCAS 173777-89-4153.02 g/mol

Open in Covalent MOL file
SClCl
Aryl halide

Properties

Molecular formula
C4H2Cl2S
Molar mass
153.02 g/mol
Exact mass
151.9254 Da
logP
3.05Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Danger
Flammable (GHS02)Acute Toxic (GHS06)Health Hazard (GHS08)

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P316, P303+P361+P353, P318, P321, P330, P370+P378, P403+P235, P405, P501

Identifiers

CAS number
173777-89-4
SMILES
C1=C(SC(=C1)Cl)Cl
InChIKey
FGYBDASKYMSNCX-UHFFFAOYSA-N
InChI
InChI=1S/C4H2Cl2S/c5-3-1-2-4(6)7-3/h1-2H

Weigh it out

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

Work with 2,5-Dichlorothiophene

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

2,5-Dichlorothiophene3172-52-9

Similar compounds

2-Chloro-5-methylthiophene17249-82-058 % similar 2-Bromo-5-chlorothiophene2873-18-958 % similar 2-Chloro-5-(chloromethyl)thiophene23784-96-552 % similar 5-Chlorothiophene-2-boronic acid162607-18-350 % similar 5-Chloro-2-thiophenecarbonitrile50478-16-550 % similar 5-Chloro-2-thiophenecarboxaldehyde7283-96-750 % similar (5-Chlorothiophen-2-yl)methanol74168-69-750 % similar 5-Chloro-2-thiophenesulfonyl chloride2766-74-746 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2,3-Dichlorothiophene17249-79-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook