≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,Store at -20°C Ships Ice chest + Ice pads 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.
| Canonical Smiles | C1=COC(=C1)CN=C=S |
|---|---|
| IUPAC Name | 2-(isothiocyanatomethyl)furan |
| InChIKey | ICXYINJACKJQQV-UHFFFAOYSA-N |
| INCHI | 1S/C6H5NOS/c9-5-7-4-6-2-1-3-8-6/h1-3H,4H2 |
| Isomeric SMILES | C1=COC(=C1)CN=C=S |
| Molecular Weight | 139.18 |
| Beilstein | 1281561 |
| Reaxy-Rn | 1281561 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1281561&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 | Organoheterocyclic compounds |
| Class | Heteroaromatic compounds |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Heteroaromatic compounds |
| Alternative Parents | Furans Isothiocyanates Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Heteroaromatic compound - Furan - Isothiocyanate - Oxacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as heteroaromatic compounds. These are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom. |
| 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 |
|---|---|---|---|
 E2519556 | Certificate of Analysis | Apr 11, 2025 | F140435 |
| E2519557 | Certificate of Analysis | Apr 11, 2025 | F140435 |
| E2519558 | Certificate of Analysis | Apr 11, 2025 | F140435 |
| E2519559 | Certificate of Analysis | Apr 11, 2025 | F140435 |
| Sensitivity | Light and moisture sensitive |
|---|---|
| Refractive Index | 1.5655 |
| Boil Point(°C) | 64-68°C |
| Molecular Weight | 139.180 g/mol |
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 139.009 Da |
| Monoisotopic Mass | 139.009 Da |
| Topological Polar Surface Area | 57.600 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 131.000 |
| 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 |
