≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Trimethylsilyl isothiocyanate (TMS-ITC) reacts with fullerene-mixed peroxide C60(O)(OOtBu)4 to yield isothiocyanate derivative C60(NCS)(OH)(OOtBu)4. TMS-ITC undergoes condensation with ethyl 2-benzylamino-5-methyl-3-phenylcyclopent-1-enecarboxylate to yield 1-benzyl-5-methyl-7-phenyl-2-thioxo-1,2,3,5,6,7-hexahydrocyclopentapyrimidin-4-one. It participates in ring opening reaction of N-substituted aziridines and cyclohexene oxide.
Product Application:
Trimethylsilyl isothiocyanate was used as derivatizing reagent during the synthesis of amino acid thiohydantoins.
| Canonical Smiles | C[Si](C)(C)N=C=S |
|---|---|
| IUPAC Name | isothiocyanato(trimethyl)silane |
| InChIKey | XLTUPERVRFLGLJ-UHFFFAOYSA-N |
| INCHI | 1S/C4H9NSSi/c1-7(2,3)5-4-6/h1-3H3 |
| Isomeric SMILES | C[Si](C)(C)N=C=S |
| PubChem CID | 75297 |
| UN Number | 1992 |
| Packing Group | III |
| Molecular Weight | 131.27 |
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 | Organometallic compounds |
| Class | Organometalloid compounds |
| Subclass | Organosilicon compounds |
| Intermediate Tree Nodes | Organoheterosilanes |
| Direct Parent | Trialkylheterosilanes |
| Alternative Parents | Organic metalloid salts N-silyl compounds Organosulfur compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Trialkylheterosilane - N-silyl compound - Organic metalloid salt - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic salt - Organosulfur compound - Organonitrogen compound - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as trialkylheterosilanes. These are organoheterosilanes, bearing a silicon atom linked to three alkyl groups and one heteroatom. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 I2307111 | Certificate of Analysis | Jun 15, 2026 | T350253 |
| F23021191 | Certificate of Analysis | Mar 13, 2026 | T350253 |
| B2309909 | Certificate of Analysis | Oct 30, 2025 | T350253 |
| G2521043 | Certificate of Analysis | Feb 15, 2025 | T350253 |
| C2604107 | Certificate of Analysis | Feb 15, 2025 | T350253 |
| B2528553 | Certificate of Analysis | Feb 15, 2025 | T350253 |
| B2528554 | Certificate of Analysis | Feb 15, 2025 | T350253 |
| B2528555 | Certificate of Analysis | Feb 15, 2025 | T350253 |
| B2528556 | Certificate of Analysis | Feb 15, 2025 | T350253 |
| B2528557 | Certificate of Analysis | Feb 15, 2025 | T350253 |
| B2528558 | Certificate of Analysis | Feb 15, 2025 | T350253 |
| L2403098 | Certificate of Analysis | Nov 22, 2022 | T350253 |
| L2319116 | Certificate of Analysis | Nov 22, 2022 | T350253 |
| F2406038 | Certificate of Analysis | Nov 22, 2022 | T350253 |
| D2426079 | Certificate of Analysis | Nov 22, 2022 | T350253 |
| D2426078 | Certificate of Analysis | Nov 22, 2022 | T350253 |
| B2309898 | Certificate of Analysis | Nov 22, 2022 | T350253 |
| B2309888 | Certificate of Analysis | Nov 22, 2022 | T350253 |
| B2309875 | Certificate of Analysis | Nov 22, 2022 | T350253 |
| B2309868 | Certificate of Analysis | Nov 22, 2022 | T350253 |
| B2216528 | Certificate of Analysis | Dec 21, 2021 | T350253 |
| B2216527 | Certificate of Analysis | Dec 21, 2021 | T350253 |
| B2216526 | Certificate of Analysis | Dec 21, 2021 | T350253 |
| B2216525 | Certificate of Analysis | Dec 21, 2021 | T350253 |
| B2216523 | Certificate of Analysis | Dec 21, 2021 | T350253 |
| Solubility | Reacts with water. |
|---|---|
| Sensitivity | Moisture sensitive |
| Refractive Index | 1.482 |
| Flash Point(°F) | 84°F |
| Flash Point(°C) | 29℃ |
| Boil Point(°C) | 143° C (lit.) |
| Melt Point(°C) | -32.8° C (lit.) |
| Molecular Weight | 131.270 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 131.022 Da |
| Monoisotopic Mass | 131.022 Da |
| Topological Polar Surface Area | 44.500 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 98.700 |
| 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 |
