5-Chloro-3-[(2-thienylthio)methyl]-1H-1-benzothiophene-1,1-dione

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Systematic / IUPAC Name: 5-Chloro-3-[(2-thienylsulfanyl)methyl]-1-benzothiophene 1,1-dioxide

ID: Reference4585

Other Names: Benzo[b]thiophene, 5-chloro-3-[(2-thienylthio)methyl]-, 1,1-dioxide

Formula: C13H9ClO2S3

Spectral Data

5-Chloro-3-[(2-thienylthio)methyl]-1H-1-benzothiophene-1,1-dione 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 4/18/2016 9:33:49 AM
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Identificators

InChI InChI=1S/C13H9ClO2S3/c14-10-3-4-12-11(6-10)9(8-19(12,15)16)7-18-13-2-1-5-17-13/h1-6,8H,7H2
InChI Key PLAIFCKTAQKYRX-UHFFFAOYSA-N
Canonical SMILES C1=CSC(=C1)SCC2=CS(=O)(=O)C3=C2C=C(C=C3)Cl
CAS
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Other Names Benzo[b]thiophene, 5-chloro-3-[(2-thienylthio)methyl]-, 1,1-dioxide

In Other Databases

ChemSpider 2100727
PubChem 2822511