chempirical

2,5-Dichloro-3-methylthiophene

C5H4Cl2SCAS 17249-90-0167.05 g/mol

Open in Covalent MOL file
SClCl
Aryl halide

Properties

Molecular formula
C5H4Cl2S
Molar mass
167.05 g/mol
Exact mass
165.9411 Da
logP
3.36Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
17249-90-0
SMILES
CC1=C(SC(=C1)Cl)Cl
InChIKey
BUWSFDLUTRHPBO-UHFFFAOYSA-N
InChI
InChI=1S/C5H4Cl2S/c1-3-2-4(6)8-5(3)7/h2H,1H3

Weigh it out

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Work with 2,5-Dichloro-3-methylthiophene

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-Acetyl-2,5-dichlorothiophene36157-40-144 % similar 2,5-Dichlorothiophene-3-sulfonyl chloride56946-83-941 % similar 2,5-Dichloro-3-thiophenecarboxylic acid36157-41-239 % similar 2,5-Dichloro-3-thiophenesulfonamide53595-68-939 % similar 2-Chloro-3-methylthiophene14345-97-239 % similar 2,5-Dichloro-p-xylene1124-05-636 % similar 2-Chloro-5-methylthiophene17249-82-036 % similar 2,5-Dichlorothiophene173777-89-433 % similar

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

Same formula

2-Chloro-5-(chloromethyl)thiophene23784-96-5

Elsewhere

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