4-Chlorophenyl 3-(methylthio)-6,7-dihydrobenzo[c]thiophene-1-carbothioate

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Systematic / IUPAC Name: S-(4-Chlorophenyl) 3-(methylsulfanyl)-6,7-dihydro-2-benzothiophene-1-carbothioate

ID: Reference5626

Other Names: Benzo[c]thiophene-1-carbothioic acid, 6,7-dihydro-3-(methylthio)-, S-(4-chlorophenyl) ester

Formula: C16H13ClOS3

Spectral Data

4-Chlorophenyl 3-(methylthio)-6,7-dihydrobenzo[c]thiophene-1-carbothioate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 9/15/2016 8:23:29 AM
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Identificators

InChI InChI=1S/C16H13ClOS3/c1-19-16-13-5-3-2-4-12(13)14(21-16)15(18)20-11-8-6-10(17)7-9-11/h3,5-9H,2,4H2,1H3
InChI Key QFTAVMKRFMHWCL-UHFFFAOYSA-N
Canonical SMILES CSC1=C2C=CCCC2=C(S1)C(=O)SC3=CC=C(C=C3)Cl
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Other Names Benzo[c]thiophene-1-carbothioic acid, 6,7-dihydro-3-(methylthio)-, S-(4-chlorophenyl) ester

In Other Databases

ChemSpider 2098342
PubChem 2820112