chempirical

5-Chloro-2-thiophenecarboxylic acid

C5H3ClO2SCAS 24065-33-6162.59 g/mol

Open in Covalent MOL file
OHOClS
Aryl halideCarboxylic acid

Properties

Molecular formula
C5H3ClO2S
Molar mass
162.59 g/mol
Exact mass
161.9542 Da
Melting point
146–147 °C
logP
2.10Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
24065-33-6
SMILES
O=C(O)c1ccc(Cl)s1
InChIKey
QZLSBOVWPHXCLT-UHFFFAOYSA-N
InChI
InChI=1S/C5H3ClO2S/c6-4-2-1-3(9-4)5(7)8/h1-2H,(H,7,8)

Weigh it out

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

Names and synonyms

5 names
  • 2-Thiophenecarboxylic acid, 5-chloro-
  • 2-Chloro-5-carboxythiophene
  • NSC 14776
  • 5-Chlorothiophen-2-carboxylic acid
  • 2-Chloro-5-thiophenecarboxylic acid

Work with 5-Chloro-2-thiophenecarboxylic acid

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

2,5-Thiophenedicarboxylic acid4282-31-968 % similar 5-Methyl-2-thiophenecarboxylic acid1918-79-255 % similar 2-Acetyl-5-chlorothiophene6310-09-455 % similar 5-Bromo-2-thiophenecarboxylic acid7311-63-955 % similar 5-Acetyl-2-thiophenecarboxylic acid4066-41-553 % similar 5-Nitro-2-thiophenecarboxylic acid6317-37-947 % similar 2,5-Dichloro-3-thiophenecarboxylic acid36157-41-247 % similar 7-Chlorobenzo[B]thiophene-2-carboxylic acid90407-16-246 % similar

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

Elsewhere

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