1-Thiocyanohexane
1-Thiocyanohexane structure
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Common Name | 1-Thiocyanohexane | ||
|---|---|---|---|---|
| CAS Number | 6803-40-3 | Molecular Weight | 143.25000 | |
| Density | 0.945g/cm3 | Boiling Point | 218.7ºC at 760 mmHg | |
| Molecular Formula | C7H13NS | Melting Point | N/A | |
| MSDS | USA | Flash Point | 86.1ºC | |
Summary: Hexyl thiocyanate, also known as 1-thiocyanohexane, CAS号6803-40-3, molecular formula C7H13NS, molecular weight 143.25, boiling point 218.7°C. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | hexyl thiocyanate |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 0.945g/cm3 |
|---|---|
| Boiling Point | 218.7ºC at 760 mmHg |
| Molecular Formula | C7H13NS |
| Molecular Weight | 143.25000 |
| Flash Point | 86.1ºC |
| Exact Mass | 143.07700 |
| PSA | 49.09000 |
| LogP | 2.78098 |
| Index of Refraction | 1.471 |
| InChIKey | BESHFZBHEPQOSU-UHFFFAOYSA-N |
| SMILES | CCCCCCSC#N |
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2930909090 |
|---|
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~91%
1-Thiocyanohexane CAS#:6803-40-3 |
| Literature: CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE(C.N.R.S.) Patent: US2008/15255 A1, 2008 ; Location in patent: Page/Page column 8 ; |
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~92%
1-Thiocyanohexane CAS#:6803-40-3 |
| Literature: Kodomari, Mitsuo; Kuzuoka, Tetsuo; Yoshitomi, Suehiko Synthesis, 1983 , # 2 p. 141 - 142 |
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~63%
1-Thiocyanohexane CAS#:6803-40-3 |
| Literature: Maeda; Kawaguchi; Masui; Ohmori Chemical and Pharmaceutical Bulletin, 1990 , vol. 38, # 5 p. 1389 - 1391 |
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~%
Detail
Learn More
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| Literature: Krief, Alain; Dumont, Willy; Robert, Michael Synlett, 2006 , # 16 p. 2601 - 2604 |
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~%
1-Thiocyanohexane CAS#:6803-40-3 |
| Literature: Pattison; Brown Canadian Journal of Chemistry, 1956 , vol. 34, p. 879,880,882 |
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~%
1-Thiocyanohexane CAS#:6803-40-3 |
| Literature: Pattison; Millington Canadian Journal of Chemistry, 1956 , vol. 34, p. 757,760 |
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~%
1-Thiocyanohexane CAS#:6803-40-3 |
| Literature: Pattison; Millington Canadian Journal of Chemistry, 1956 , vol. 34, p. 757,760 |
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~%
1-Thiocyanohexane CAS#:6803-40-3 |
| Literature: Cahours; Pelouze Jahresbericht ueber die Fortschritte der Chemie und Verwandter Theile Anderer Wissenschaften, 1863 , p. 526 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 8 | |
|---|---|
| DownStream 5 | |
CAS#:10496-15-8
CAS#:14532-24-2
CAS#:14683-75-1
CAS#:58376-99-1
CAS#:51861-60-0This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2930909090 |
|---|---|
| Summary | 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
|
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Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Thiocyansaeure-hexylester |
| hexylthiocyanate |
| 1-Thiocyanohexane |
| 1-hexylthiocyanate |
| Hexylthiocyanat |
| Thiocyanic acid,hexyl ester |
| Hexylrhodanid |
| Hexylrhodanid [German] |
| hexylsulfanyl cyanate |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the CAS number of hexyl thiocyanate? |
| A: CAS number of hexyl thiocyanate is 6803-40-3. |
| Q: What is the molecular weight of hexyl thiocyanate? |
| A: Molecular weight of hexyl thiocyanate is 143.25000. |
| Q: What are the downstream products of hexyl thiocyanate? |
| A: Related downstream products(CAS) of hexyl thiocyanate: 10496-15-8;14532-24-2;14683-75-1;58376-99-1;51861-60-0. |
| Q: What is the molecular formula of hexyl thiocyanate? |
| A: Molecular formula of hexyl thiocyanate is C7H13NS. |
| Q: What is the English name of hexyl thiocyanate? |
| A: The English name of hexyl thiocyanate is hexyl thiocyanate. |
| Q: What is the polar surface area (PSA) of hexyl thiocyanate? |
| A: Polar surface area (PSA) of hexyl thiocyanate is 49.09000. |
| Q: What is the LogP of hexyl thiocyanate? |
| A: LogP of hexyl thiocyanate is 2.78098. |
| Q: What English synonyms does hexyl thiocyanate have? |
| A: English synonyms of hexyl thiocyanate: Thiocyansaeure-hexylester, hexylthiocyanate, 1-Thiocyanohexane, 1-hexylthiocyanate, Hexylthiocyanat, Thiocyanic acid,hexyl ester, Hexylrhodanid, Hexylrhodanid [German], hexylsulfanyl cyanate. |
| Q: What is the Chinese name of 6803-40-3? |
| A: Chinese name of 6803-40-3 is 6803-40-3. |
| Q: What are the upstream materials of hexyl thiocyanate? |
| A: Related upstream materials(CAS) of hexyl thiocyanate: 111-25-1;333-20-0;540-72-7;111-27-3;918945-55-8;20633-11-8;16156-50-6;544-10-5. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |