| Pubchem Sid | 488187928 |
|---|---|
| Sonrisas canónicas | CC1=C(C(=CC=C1)N=C=S)C |
| IUPAC Name | 1-isothiocyanato-2,3-dimethylbenzene |
| InChIKey | VASTZUGVKHOFPE-UHFFFAOYSA-N |
| INCHI | 1S/C9H9NS/c1-7-4-3-5-9(8(7)2)10-6-11/h3-5H,1-2H3 |
| Isómeros SMILES | CC1=C(C(=CC=C1)N=C=S)C |
| Peso molecular | 163.24 |
| Reaxy-Rn | 2802908 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2802908&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 | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Xylenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | o-Xylenes |
| Alternative Parents | Isothiocyanates Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | O-xylene - Isothiocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as o-xylenes. These are aromatic compounds that contain a o-xylene moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 2-positions. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
 D2303575 | Certificate of Analysis | Jan 27, 2026 | B301157 |
| D2303570 | Certificate of Analysis | Jan 27, 2026 | B301157 |
| D2303542 | Certificate of Analysis | Jan 27, 2026 | B301157 |
| D2303541 | Certificate of Analysis | Jan 27, 2026 | B301157 |
| D2303540 | Certificate of Analysis | Jan 27, 2026 | B301157 |
| D2303539 | Certificate of Analysis | Jan 27, 2026 | B301157 |
| D2303571 | Certificate of Analysis | Jan 26, 2026 | B301157 |
| D2303573 | Certificate of Analysis | Jan 26, 2026 | B301157 |
| G2131090 | Certificate of Analysis | May 17, 2024 | B301157 |
| F2517174 | Certificate of Analysis | Feb 03, 2023 | B301157 |
| Punto de ebullición (°C) | 128°/8mm |
|---|---|
| Peso molecular | 163.240 g/mol |
| XLogP3 | 4.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 163.046 Da |
| Monoisotopic Mass | 163.046 Da |
| Topological Polar Surface Area | 44.500 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 172.000 |
| 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 |
