CAS 1142922-50-6

1-Hexane-1,1,2,2,3,3,4,4,5,5,6,6,6-d13-thiol

Description:

1-Hexane-1,1,2,2,3,3,4,4,5,5,6,6,6-d13-thiol, with CAS number 1142922-50-6, is a deuterated thiol compound derived from hexane. Its molecular structure features a straight-chain alkane backbone with a thiol (-SH) functional group, which imparts characteristic properties such as increased reactivity and the ability to form disulfide bonds. The presence of deuterium atoms (d13) indicates that hydrogen atoms in the hexane chain have been replaced with deuterium, enhancing its stability and making it useful in various analytical applications, particularly in NMR spectroscopy. This compound is typically colorless and has a strong, distinctive odor associated with thiols. It is soluble in organic solvents and may exhibit moderate volatility. Due to its thiol group, it can participate in nucleophilic reactions and is often used in organic synthesis, as well as in the study of biochemical processes involving sulfur-containing compounds. Safety precautions should be taken when handling this substance, as thiols can be toxic and have strong odors.

Formula: C₆HD₁₃S

InChI: InChI=1S/C6H14S/c1-2-3-4-5-6-7/h7H,2-6H2,1H3/i1D3,2D2,3D2,4D2,5D2,6D2

InChI key: InChIKey=PMBXCGGQNSVESQ-UTBWLCBWSA-N

SMILES: C(C(C(C([2H])([2H])[2H])([2H])[2H])([2H])[2H])(C(C(S)([2H])[2H])([2H])[2H])([2H])[2H]

Synonyms:

• 1-Hexane-1,1,2,2,3,3,4,4,5,5,6,6,6-d13-thiol

1-Hexane-d13-thiol

CAS: 1142922-50-6

Formula: CD₃(CD₂)₅SH

Purity: 98 atom % D

Color and Shape: Colorless Liquid

Molecular weight: 131.16322

Ref: 3U-D6419

1-Hexane-d13-thiol

Controlled Product

CAS: 1142922-50-6

Applications 1-Hexane-d13-thiol is a useful isotopically labeled research compound employed in site selective Inelastic electron tunneling Spectroscopy.
References Okabayashi, N., et al.: Rev. Sci. Instr.um., 81, 084101 (2010); Okabayashi, N., et al.: Nano Lett., 10, 2950 (2010)

Formula: C₆HD₁₃S

Color and Shape: Neat

Molecular weight: 131.32

Ref: TR-H297101