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| Synonyms | n-butyl mercaptan, 1,2-(14)C,2-(35) S-labeled cpd | 1-BUTYL MERCAPTAN [HSDB] | AKOS009031443 | InChI=1/C4H10S/c1-2-3-4-5/h5H,2-4H2,1H | n-BuSH | A802088 | AI3-22954 | n-C4H9SH | EINECS 203-705-3 | EPA Pesticide Chemical Code 125001 | Caswell No. 119D | n- |
|---|---|
| Specifications & Purity | ≥97% |
| Storage Temp | Room temperature,Argon charged |
| Shipped In | Normal |
| Product Description |
1-Butanethiol is used as a model gaseous analyte for fast-responding membrane-free amperometric gas sensor. |
Taxonomy Tree
| 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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| Pubchem Sid | 504751543 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504751543 |
| IUPAC Name | butane-1-thiol |
| INCHI | InChI=1S/C4H10S/c1-2-3-4-5/h5H,2-4H2,1H3 |
| InChIKey | WQAQPCDUOCURKW-UHFFFAOYSA-N |
| Smiles | CCCCS |
| Isomeric SMILES | CCCCS |
| WGK Germany | 3 |
| RTECS | EK6300000 |
| UN Number | 2347 |
| Packing Group | II |
| Molecular Weight | 90.19 |
| Beilstein | 1730908 |
| Reaxy-Rn | 1730908 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1730908&ln= |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Jan 09, 2025 | B105717 | |
| Certificate of Analysis | Oct 11, 2022 | B105717 | |
| Certificate of Analysis | Oct 11, 2022 | B105717 | |
| Certificate of Analysis | Oct 11, 2022 | B105717 | |
| Certificate of Analysis | Feb 15, 2022 | B105717 | |
| Certificate of Analysis | Feb 15, 2022 | B105717 | |
| Certificate of Analysis | Feb 15, 2022 | B105717 |
| Solubility | Soluble in water (0.59g/L at 20°C). |
|---|---|
| Sensitivity | Air Sensitive |
| Refractive Index | 1.4410 to 1.4450 |
| Flash Point(°F) | 35.6℉ |
| Flash Point(°C) | 2℃ |
| Boil Point(°C) | 98.4°C |
| Melt Point(°C) | -116°C |
| Molecular Weight | 90.190 g/mol |
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 90.0503 Da |
| Monoisotopic Mass | 90.0503 Da |
| Topological Polar Surface Area | 1.000 Ų |
| Heavy Atom Count | 5 |
| Formal Charge | 0 |
| Complexity | 13.100 |
| 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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