4-Chlorothieno[3,2-C]pyridine

C₇H₄ClNSCAS 27685-94-5169.63 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₄ClNS
Molar mass: 169.63 g/mol
Exact mass: 168.9753 Da
Melting point: 96 °C
logP: 2.95Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Identifiers

CAS number

27685-94-5

SMILES

Clc1nccc2sccc12

InChIKey

VFPFMOXMHVQFNR-UHFFFAOYSA-N

InChI

InChI=1S/C7H4ClNS/c8-7-5-2-4-10-6(5)1-3-9-7/h1-4H

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

Names and synonyms

1 names

Thieno[3,2-c]pyridine, 4-chloro-

Work with 4-Chlorothieno[3,2-C]pyridine

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

4-Chlorobenzo[B]thiophene66490-33-345 % similar 2,4-Dichlorothieno[2,3-D]pyrimidine18740-39-142 % similar 4-Bromobenzo[B]thiophene5118-13-841 % similar 4-Hydroxybenzothiophene3610-02-439 % similar 2,3-Dichloropyrazine4858-85-938 % similar 3-Amino-2-chloro-4-methylpyridine133627-45-937 % similar 2,4-Dichloro-3-methylpyridine132097-09-735 % similar 2,3-Dichloropyridine2402-77-934 % similar

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

Same formula

4-Chlorophenyl isothiocyanate2131-55-7 3-Chlorophenyl isothiocyanate2392-68-9 2-Chlorobenzothiazole615-20-3 3-Chloro-1,2-benzisothiazole7716-66-7

Elsewhere

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