Cas no 16525-31-8 (Hexanethioamide)
Hexanethioamide is a thiourea derivative characterized by the presence of a hexyl group attached to a thioamide functional group. This compound is primarily utilized in organic synthesis and coordination chemistry due to its ability to act as a ligand, forming stable complexes with various metal ions. Its structural properties make it valuable in catalytic applications and as a precursor in the preparation of heterocyclic compounds. Hexanethioamide exhibits moderate solubility in polar organic solvents, facilitating its use in solution-phase reactions. The compound's stability and reactivity under controlled conditions make it a practical choice for research and industrial applications requiring precise thiocarbonyl-based reagents.
Hexanethioamide structure
Product Name:Hexanethioamide
CAS No:16525-31-8
MF:C6H13NS
MW:131.23912024498
CID:1344978
PubChem ID:14364693
Update Time:2025-06-08
Hexanethioamide Chemical and Physical Properties
Names and Identifiers
-
- Hexanethioamide
- Thiohexylamid
- Capronsaeure-thioamid
- hexanethioic acid amide
- AGN-PC-00169U
- Thio-caproamid
- EN300-53644
- AC1Q2VOH
- AG-E-14864
- thiohexanamide
- hexanethioacid amide
- AKOS000156736
- ZINC19277392
- CTK4D2031
- Thiohexylamid; Capronsaeure-thioamid; hexanethioic acid amide; AGN-PC-00169U; Thio-caproamid; EN300-53644; AC1Q2VOH; AG-E-14864; thiohexanamide; hexanethioacid amide; AKOS000156736; ZINC19277392; CTK4D2031;
- DTXSID20559409
- SY174654
- W19000
- SCHEMBL13315301
- MFCD09810087
- SCHEMBL1776587
- 16525-31-8
- SDELOLXCTBXEAW-UHFFFAOYSA-N
- WS-02155
- hexanethioamide(WXC09831)
-
- Inchi： 1S/C6H13NS/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H2,7,8)
- InChI Key： SDELOLXCTBXEAW-UHFFFAOYSA-N
- SMILES： S=C(CCCCC)N
Computed Properties
- Exact Mass: 131.07699
- Monoisotopic Mass: 131.07687059g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 8
- Rotatable Bond Count: 4
- Complexity: 70.9
- 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: 1.7
- Topological Polar Surface Area: 58.1?2
Experimental Properties
- Density: 1.0±0.1 g/cm3
- Boiling Point: 198.5±23.0 °C at 760 mmHg
- Flash Point: 73.9±22.6 °C
- PSA: 26.02
- Vapor Pressure: 0.4±0.4 mmHg at 25°C
Hexanethioamide Security Information
- Signal Word：warning
- Hazard Statement： H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Warning Statement： P264+P280+P305+P351+P338+P337+P313
- Safety Instruction： H303+H313+H333
- Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
Hexanethioamide Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | H291158-25mg |
hexanethioamide |
16525-31-8 | 25mg |
$ 50.00 | 2022-06-04 | ||
| TRC | H291158-50mg |
hexanethioamide |
16525-31-8 | 50mg |
$ 70.00 | 2022-06-04 | ||
| TRC | H291158-250mg |
hexanethioamide |
16525-31-8 | 250mg |
$ 275.00 | 2022-06-04 | ||
| Enamine | EN300-53644-0.05g |
hexanethioamide |
16525-31-8 | 99% | 0.05g |
$64.0 | 2023-02-10 | |
| Enamine | EN300-53644-0.1g |
hexanethioamide |
16525-31-8 | 99% | 0.1g |
$77.0 | 2023-02-10 | |
| Enamine | EN300-53644-0.25g |
hexanethioamide |
16525-31-8 | 99% | 0.25g |
$110.0 | 2023-02-10 | |
| Enamine | EN300-53644-0.5g |
hexanethioamide |
16525-31-8 | 99% | 0.5g |
$209.0 | 2023-02-10 | |
| Enamine | EN300-53644-1.0g |
hexanethioamide |
16525-31-8 | 99% | 1.0g |
$299.0 | 2023-02-10 | |
| Enamine | EN300-53644-2.5g |
hexanethioamide |
16525-31-8 | 99% | 2.5g |
$586.0 | 2023-02-10 | |
| Enamine | EN300-53644-5.0g |
hexanethioamide |
16525-31-8 | 99% | 5.0g |
$866.0 | 2023-02-10 |
Hexanethioamide Related Literature
-
Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
-
4. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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