≥98%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Argon charged,Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 508814714 |
|---|---|
| 정식 스마일 | C1CCC(CC1)N=C=S |
| IUPAC Name | isothiocyanatocyclohexane |
| InChIKey | MZSJGCPBOVTKHR-UHFFFAOYSA-N |
| INCHI | 1S/C7H11NS/c9-6-8-7-4-2-1-3-5-7/h7H,1-5H2 |
| 이성체 SMILES | C1CCC(CC1)N=C=S |
| WGK 독일 | 3 |
| RTECS | NX8480000 |
| 분자량 | 141.23 |
| Beilstein | 774525 |
| Reaxy-Rn | 774525 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=774525&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organosulfur compounds |
| 분류 | Isothiocyanates |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Isothiocyanates |
| Alternative Parents | Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Substituents | Isothiocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aliphatic homomonocyclic compound |
| 설명 | This compound belongs to the class of organic compounds known as isothiocyanates. These are organic compounds containing the isothiocyanate group, an isocyanate analogue with the general formula RN=C=S. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | 날짜 | 항목 |
|---|---|---|---|
 H2408358 | Certificate of Analysis | Apr 25, 2024 | C140271 |
| G2404498 | Certificate of Analysis | Apr 25, 2024 | C140271 |
| G2404500 | Certificate of Analysis | Apr 25, 2024 | C140271 |
| E2316515 | Certificate of Analysis | May 08, 2023 | C140271 |
| E2316519 | Certificate of Analysis | May 08, 2023 | C140271 |
| E2316524 | Certificate of Analysis | May 08, 2023 | C140271 |
| H2508062 | Certificate of Analysis | May 08, 2023 | C140271 |
| H1907057 | Certificate of Analysis | May 08, 2023 | C140271 |
| 감도 | Moisture sensitive. |
|---|---|
| 굴절률 | 1.5330-1.5390 |
| 발화점(°F) | 203 °F |
| 발화점(°C) | 95 °C |
| 끓는점(°C) | 219 °C |
| 분자량 | 141.240 g/mol |
| XLogP3 | 3.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 141.061 Da |
| Monoisotopic Mass | 141.061 Da |
| Topological Polar Surface Area | 44.500 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 121.000 |
| 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 |
| 1. Xiaopei Li, Xianxu Chu, Kefan Ying, Xi Chen, Peng Sun, Haiyun Xu, Lu Li, Jie Zhang, Wenjuan Li. (2025) Synthesis of Novel Organic Ni (II) N-isonicotinoylhydrazine-Carbothioamide Complexes and their Application in the Oxygen Evolution Reactions. Inorganic Chemistry Frontiers, [PMID:] [10.1039/D5QI00033E] |
