5-Chloromethylthio-3-methylmercapto-1,2,4-thiadiazole

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Systematic / IUPAC Name: 5-[(Chloromethyl)sulfanyl]-3-(methylsulfanyl)-1,2,4-thiadiazole

ID: Reference2626

Other Names: Chloro(3-methylthio(1,2,4-thiadiazol-5-ylthio))methane

Formula: C4H5ClN2S3

Spectral Data

5-Chloromethylthio-3-methylmercapto-1,2,4-thiadiazole 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 2
No. of Spectra 238
Tandem Spectra MS1, MS2
Ionization Methods ESI; APCI
Analyzers FT
Last Modification 4/23/2015 11:15:49 AM
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Identificators

InChI InChI=1S/C4H5ClN2S3/c1-8-3-6-4(9-2-5)10-7-3/h2H2,1H3
InChI Key VBRWFJPXQDNPEK-UHFFFAOYSA-N
Canonical SMILES CSC1=NSC(=N1)SCCl
CAS
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Other Names Chloro(3-methylthio(1,2,4-thiadiazol-5-ylthio))methane

In Other Databases

PubChem 2733090
ChemSpider 2014899