Cas no 352431-09-5 (1-Butane-d9-thiol)
1-Butane-d9-thiol is a deuterated form of butanethiol, where all nine hydrogen atoms are replaced by deuterium. This isotopic labeling enhances the compound's utility in mechanistic studies, NMR spectroscopy, and mass spectrometry due to the distinct spectral properties of deuterium. The high isotopic purity ensures minimal interference in analytical applications, making it valuable for tracing reaction pathways and kinetic studies. Its stability under standard conditions allows for consistent performance in research environments. The compound is particularly useful in investigations involving sulfur-containing intermediates or thiol-based reactions, providing precise data for molecular structure elucidation and isotopic labeling experiments.
1-Butane-d9-thiol structure
Product Name:1-Butane-d9-thiol
CAS No:352431-09-5
MF:C4H10S
MW:99.2426552772522
MDL:MFCD01317443
CID:302960
PubChem ID:102601127
Update Time:2025-08-05
1-Butane-d9-thiol Chemical and Physical Properties
Names and Identifiers
-
- 1-Butane-1,1,2,2,3,3,4,4,4-d9-thiol(9CI)
- 1-BUTANE-D9-THIOL
- 1,1,2,2,3,3,4,4,4-nonadeuteriobutane-1-thiol
- 352431-09-5
- D98404
- 1-Butane-d9-thiol
-
- MDL： MFCD01317443
- Inchi： 1S/C4H10S/c1-2-3-4-5/h5H,2-4H2,1H3/i1D3,2D2,3D2,4D2
- InChI Key： WQAQPCDUOCURKW-YNSOAAEFSA-N
- SMILES： SC([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]
Computed Properties
- Exact Mass: 99.10681221g/mol
- Monoisotopic Mass: 99.10681221g/mol
- Isotope Atom Count: 9
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 5
- Rotatable Bond Count: 2
- Complexity: 13.1
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.3
- Topological Polar Surface Area: 1?2
1-Butane-d9-thiol Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | B550306-5mg |
1-Butane-d9-thiol |
352431-09-5 | 5mg |
$ 64.00 | 2023-09-08 | ||
| TRC | B550306-10mg |
1-Butane-d9-thiol |
352431-09-5 | 10mg |
$ 81.00 | 2023-09-08 | ||
| TRC | B550306-50mg |
1-Butane-d9-thiol |
352431-09-5 | 50mg |
$ 196.00 | 2023-04-18 | ||
| AstaTech | D98404-0.25/G |
1-BUTANE-D9-THIOL |
352431-09-5 | 95% | 0.25g |
$583 | 2023-09-19 | |
| A2B Chem LLC | AF66709-250mg |
1-BUTANE-D9-THIOL |
352431-09-5 | 250mg |
$645.00 | 2024-04-20 | ||
| A2B Chem LLC | AF66709-500mg |
1-BUTANE-D9-THIOL |
352431-09-5 | 500mg |
$974.00 | 2024-04-20 |
1-Butane-d9-thiol Related Literature
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
-
Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
-
Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
-
Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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