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Basic Description
| Synonyms | DTXSID0051574 | DTXCID4030126 | FS-4087 | Mercaptan C6 | n-Hexylthiol | EINECS 203-857-0 | NSC99106 | AKOS015897424 | USAF EK-4628 | FT-0652492 | Hexane-1-thiol | SCHEMBL22331 | EN300-267737 | CAS-111-31-9 | A802340 | J-504659 | 1-Hexyl mercaptan | Hexylt |
|---|---|
| Specifications & Purity | ≥94% |
| Storage Temp | Room temperature,Argon charged |
| Shipped In | Normal |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organosulfur compounds
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Class
Thiols
- Subclass Alkylthiols
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Class
Thiols
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Superclass
Organosulfur compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organosulfur compounds |
| Class | Thiols |
| Subclass | Alkylthiols |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Alkylthiols |
| Alternative Parents | Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Alkylthiol - Hydrocarbon derivative - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as alkylthiols. These are organic compounds containing the thiol functional group linked to an alkyl chain. |
| External Descriptors | Not available |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Names and Identifiers
| Pubchem Sid | 504751580 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504751580 |
| IUPAC Name | hexane-1-thiol |
| INCHI | InChI=1S/C6H14S/c1-2-3-4-5-6-7/h7H,2-6H2,1H3 |
| InChIKey | PMBXCGGQNSVESQ-UHFFFAOYSA-N |
| Smiles | CCCCCCS |
| Isomeric SMILES | CCCCCCS |
| WGK Germany | 3 |
| RTECS | MO4550000 |
| UN Number | 1228 |
| Packing Group | II |
| Molecular Weight | 118.24 |
| Beilstein | 1731295 |
| Reaxy-Rn | 1731295 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1731295&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 L2301239 |
Certificate of Analysis | Dec 12, 2023 | H299109 |
| L2301240 |
Certificate of Analysis | Dec 12, 2023 | H299109 |
| L2301241 |
Certificate of Analysis | Dec 06, 2023 | H299109 |
| G1915209 |
Certificate of Analysis | May 06, 2023 | H299109 |
| L2214843 |
Certificate of Analysis | Dec 30, 2022 | H299109 |
Chemical and Physical Properties
| Solubility | Difficult to mix in water. |
|---|---|
| Sensitivity | Air sensitive. |
| Refractive Index | 1.447-1.451 |
| Flash Point(°C) | 30℃ |
| Boil Point(°C) | 150-154°C |
| Melt Point(°C) | -81--80°C |
| Molecular Weight | 118.240 g/mol |
| XLogP3 | 3.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 4 |
| Exact Mass | 118.082 Da |
| Monoisotopic Mass | 118.082 Da |
| Topological Polar Surface Area | 1.000 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 27.400 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
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