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4-(4-Tolyl)-3-thiabutane-1-thiol

View entire compound with spectra: 1 MS (GC)

4-(4-Tolyl)-3-thiabutane-1-thiol
SpectraBase Compound ID 1Prso4Chazz
InChI InChI=1S/C10H14S2/c1-9-2-4-10(5-3-9)8-12-7-6-11/h2-5,11H,6-8H2,1H3
InChIKey NVELWJDLYOLXIA-UHFFFAOYSA-N
Mol Weight 198.34 g/mol
Molecular Formula C10H14S2
Exact Mass 198.053693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GODTLzh6bRG
Name 4-(4-Tolyl)-3-thiabutane-1-thiol
Alternate Name(s) 2-[(4-Methylbenzyl)sulfanyl]ethanethiol 2-[(4-methylbenzyl)sulfanyl]ethyl hydrosulfide
CAS Registry Number 139277-91-1
Comments Less than 3 mono-isotopic peaks
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Formula C10H14S2
InChI InChI=1S/C10H14S2/c1-9-2-4-10(5-3-9)8-12-7-6-11/h2-5,11H,6-8H2,1H3
InChIKey NVELWJDLYOLXIA-UHFFFAOYSA-N
Molecular Weight 198.342 g/mol
SMILES SCCSCc1ccc(cc1)C
SPLASH splash10-0a4i-0900000000-66bc5b7d71b6e96b272c
Source of Spectrum J-57-2180-6
Wiley ID 1195309