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p-Toluenethiol

View entire compound with spectra: 16 NMR, 5 FTIR, 1 UV-Vis, and 10 MS (GC)

p-Toluenethiol
SpectraBase Compound ID DgGcMwXN5X3
InChI InChI=1S/C7H8S/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3
InChIKey WLHCBQAPPJAULW-UHFFFAOYSA-N
Mol Weight 124.2 g/mol
Molecular Formula C7H8S
Exact Mass 124.034671 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ZsZ8rvQal1
Name Benzenethiol, 4-methyl-
Alternate Name(s) 1-Mercapto-4-methylbenzene 4-Mercaptotoluene 4-Methylbenzenethiol 4-Methylphenyl mercaptan 4-Methylthiophenol 4-Thiocresol 4-Toluenethiol p-Mercaptotoluene p-Methylbenzenethiol p-Methylphenyl mercaptan p-Methylthiophenol p-Thiocresol p-Thiolcresol p-Toluenethiol p-Tolyl mercaptan p-Tolylthiol p-Tolylthiophenol Thio-p-cresol Toluene, 4-mercapto- Toluene-4-thiol USAF EK-510 AI3-09056 BRN 0605761 EINECS 203-399-1 HSDB 2024 NSC 2227
CAS Registry Number 106-45-6
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H8S
InChI InChI=1S/C7H8S/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3
InChIKey WLHCBQAPPJAULW-UHFFFAOYSA-N
Molecular Weight 124.201 g/mol
SMILES Sc1ccc(C)cc1
SPLASH splash10-0006-9300000000-340f8316bde1bf78becc
Source of Spectrum KC-0-3347-13
Wiley ID 826740