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Sigma-Aldrich

2-Phenylethanethiol

98%

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Synonym(s):
2-Phenylethyl mercaptan, Phenethyl mercaptan
Linear Formula:
C6H5CH2CH2SH
CAS Number:
Molecular Weight:
138.23
Beilstein/REAXYS Number:
1446618
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.22

Quality Level

assay

98%

refractive index

n20/D 1.560 (lit.)

bp

217-218 °C (lit.)

density

1.032 g/mL at 25 °C (lit.)

SMILES string

SCCc1ccccc1

InChI

1S/C8H10S/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2

InChI key

ZMRFRBHYXOQLDK-UHFFFAOYSA-N

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General description

2-Phenylethanethiol serves as a building block in organic synthesis to incorporate a thiol functional group into molecules. Structures of 2-phenylethanethiol and its 1:1 water clusters have been studied using resonant two-photon ionization spectroscopy.

Application

2-Phenylethanethiol has been used:
  • in preparation of biicosahedral Au (25) clusters protected with various types of thiol ligands
  • as derivatization reagent for phosphorylated sequences of peptides, for enhancing ionization efficiency in matrix-assisted laser desorption/ionization mass spectrometry

Storage Class

10 - Combustible liquids

wgk_germany

WGK 3

flash_point_f

194.0 °F - closed cup

flash_point_c

90 °C - closed cup

ppe

Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)


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