4-Chlorothieno[3,2-c]pyridine

C7H4ClNSCAS 27685-94-5169.63 g/mol

Open in Covalent MOL file
ClNS
Aryl halide

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 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

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-Chlorothieno[2,3-D]pyrimidine14080-59-252 % similar 4-Chloro-1-benzothiophene66490-33-345 % similar 1-Chloroisoquinoline19493-44-844 % similar 2,4-Dichlorothieno[2,3-d]pyrimidine18740-39-142 % similar 4-Chlorofuro[3,2-C]pyridine31270-80-141 % similar 5-Bromo-1-chloroisoquinoline34551-41-241 % similar 4-Chloro-1H-pyrrolo[3,2-c]pyridine60290-21-341 % similar 4-Bromobenzo[b]thiophene5118-13-841 % 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-Chlorophenyl isothiocyanate2740-81-0 2-Chlorobenzothiazole615-20-3 7-Chlorothieno[3,2-B]pyridine69627-03-8 3-Chloro-1,2-benzisothiazole7716-66-7

Elsewhere

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