Methyl 5-chlorothiophene-2-carboxylate

C6H5ClO2SCAS 35475-03-7176.61 g/mol

Open in Covalent MOL file
OOSCl
Aryl halideEster

Properties

Molecular formula
C6H5ClO2S
Molar mass
176.61 g/mol
Exact mass
175.9699 Da
logP
2.19Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
35475-03-7
SMILES
COC(=O)C1=CC=C(S1)Cl
InChIKey
SQVGSFPLDUMEDG-UHFFFAOYSA-N
InChI
InChI=1S/C6H5ClO2S/c1-9-6(8)4-2-3-5(7)10-4/h2-3H,1H3

Weigh it out

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Names and synonyms

1 names
  • Methyl-5-chlorothiophene-2-carboxylate

Work with Methyl 5-chlorothiophene-2-carboxylate

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

Ethyl 5-chlorothiophene-2-carboxylate5751-82-663 % similar Methyl 5-bromothiophene-2-carboxylate62224-19-559 % similar Methyl 5-formylthiophene-2-carboxylate67808-64-456 % similar 2-Acetyl-5-chlorothiophene6310-09-455 % similar 5-Chlorothiophene-2-carbonyl chloride42518-98-952 % similar Methyl 5-nitro-2-thiophenecarboxylate5832-01-951 % similar 5-Chloro-2-thiophenecarboxylic acid24065-33-650 % similar Methyl thenoate5380-42-749 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl 3-chlorothiophene-2-carboxylate88105-17-3 Benzenesulfonyl chloride98-09-9

Elsewhere

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