Cas no 629-12-9 (pentyl isothiocyanate)
pentyl isothiocyanate structure
Product Name:pentyl isothiocyanate
CAS No:629-12-9
MF:C6H11NS
MW:129.2232401371
MDL:MFCD00014444
CID:82836
PubChem ID:69415
Update Time:2025-04-18
pentyl isothiocyanate Chemical and Physical Properties
Names and Identifiers
-
- pentyl isothiocyanate
- 1-Pentyl isothiocyanate
- 1-isothiocyanatopentane
- Amyl isothiocyanate
- n-Pentyl isothiocyanate
- n-Amyl isothiocyanate
- n-AmylIsothiocyanate
- DTXSID10212071
- SCHEMBL175645
- GEO-02897
- CHEMBL1814589
- UNII-KL6U8NL15R
- NS00022579
- AMYL ISOTHIOCYANATE [FHFI]
- 1-Isothiocyanatopentane #
- Pentane, 1-isothiocyanato-
- EINECS 211-075-6
- 629-12-9
- Q27282319
- FEMA NO. 4417
- KL6U8NL15R
- 1-isothiocyanato-pentane
- FT-0632660
- BP-12930
- AKOS000212508
- MFCD00014444
- ISOTHIOCYANIC ACID, PENTYL ESTER
- BBL027805
- STK802154
- pentylisothiocyanate
- DB-054327
-
- MDL： MFCD00014444
- Inchi： 1S/C6H11NS/c1-2-3-4-5-7-6-8/h2-5H2,1H3
- InChI Key： SGHJUJBYMSVAJY-UHFFFAOYSA-N
- SMILES： S=C=NCCCCC
- BRN： 1746691
Computed Properties
- Exact Mass: 129.06100
- Monoisotopic Mass: 129.061
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 8
- Rotatable Bond Count: 4
- Complexity: 84.5
- 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
- Topological Polar Surface Area: 44.4A^2
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
Experimental Properties
- Color/Form: Colorless liquid
- Density: 0.91
- Boiling Point: 193 oC
- Flash Point: 65 oC
- Refractive Index: 1.4965
- PSA: 44.45000
- LogP: 2.27940
- Solubility: Hydrolyzable with water
- Sensitiveness: Moisture Sensitive
pentyl isothiocyanate Security Information
- Hazardous Material transportation number：3080
- Hazard Category Code： 10-22-23-36/37/38-42
- Safety Instruction： S26-S36/37/39
- Safety Term：8
- Packing Group：III
- Risk Phrases：R10
- HazardClass：8
- PackingGroup：III
pentyl isothiocyanate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 009557-1g |
Pentyl isothiocyanate |
629-12-9 | 99% | 1g |
￡10.00 | 2022-03-01 | |
| Fluorochem | 009557-5g |
Pentyl isothiocyanate |
629-12-9 | 99% | 5g |
￡29.00 | 2022-03-01 | |
| Fluorochem | 009557-25g |
Pentyl isothiocyanate |
629-12-9 | 99% | 25g |
￡109.00 | 2022-03-01 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R030643-25g |
pentyl isothiocyanate |
629-12-9 | 96% | 25g |
￥1987 | 2024-05-22 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R030643-5g |
pentyl isothiocyanate |
629-12-9 | 96% | 5g |
￥442 | 2024-05-22 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | P77810-25g |
PENTYL ISOTHIOCYANATE |
629-12-9 | 25g |
￥1988.0 | 2021-09-08 | ||
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | P77810-5g |
PENTYL ISOTHIOCYANATE |
629-12-9 | 5g |
￥448.0 | 2021-09-08 | ||
| abcr | AB113696-5 g |
1-Pentyl isothiocyanate, 96%; . |
629-12-9 | 96% | 5 g |
€81.90 | 2023-07-20 | |
| abcr | AB113696-25 g |
1-Pentyl isothiocyanate, 96%; . |
629-12-9 | 96% | 25 g |
€231.00 | 2023-07-20 | |
| TRC | P227578-250mg |
Pentyl Isothiocyanate |
629-12-9 | 250mg |
$ 50.00 | 2022-06-02 |
pentyl isothiocyanate Related Literature
-
1. Chemistry of polynuclear metal complexes with bridging carbene or carbyne ligands. Part 106. Synthesis and reactions of the alkylidyne complexes [M(CR)(CO)2{(C6F5)AuC(pz)3}](M = WorMo, R = alkyloraryl, pz = pyrazol-1-yl); crystal structure of [WPtAU(C6F5)(μ3-CMe)(CO)2(PMe2Ph)2{(C6F5)AuC(pz)3}]Peter K. Byers,Nicholas Carr,F. Gordon A. Stone J. Chem. Soc. Dalton Trans. 1990 3701
629-12-9 (pentyl isothiocyanate) Related Products
- 4430-45-9(Octyl isothiocyanate)
- 592-82-5(n-Butyl isothiocyanate)
- 2877-26-1(octadecyl isothiocyanate)
- 4426-83-9(1-Isothiocyanatoheptane)
- 24540-94-1(Decyl isothiocyanate)
- 4430-43-7(Nonyl Isothiocyanate)
- 4430-51-7(1,4-Butane diisothiocyanate)
- 1072-32-8(Dodecyl Isothiocyanate)
- 3224-48-4(n-Tetradecyl isothiocyanate)
- 4404-45-9(Hexyl Isothiocyanate)
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