| Pubchem Sid | 488191385 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488191385 |
| Sonrisas canónicas | CC1=CC=CC=C1NC(=S)NN |
| IUPAC Name | 1-amino-3-(2-methylphenyl)thiourea |
| InChIKey | QCMQZMITIOLXFZ-UHFFFAOYSA-N |
| INCHI | 1S/C8H11N3S/c1-6-4-2-3-5-7(6)10-8(12)11-9/h2-5H,9H2,1H3,(H2,10,11,12) |
| Isómeros SMILES | CC1=CC=CC=C1NC(=S)NN |
| WGK Alemania | 3 |
| RTECS | VT4545000 |
| Peso molecular | 181.26 |
| Beilstein | 880437 |
| Reaxy-Rn | 880437 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=880437&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 | Toluenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Toluenes |
| Alternative Parents | Thiosemicarbazides Organosulfur compounds Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Toluene - Thiosemicarbazide - 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 toluenes. These are compounds containing a benzene ring which bears a methane group. |
| 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 |
|---|---|---|---|
 J2417532 | Certificate of Analysis | Sep 30, 2024 | M140442 |
| J2417533 | Certificate of Analysis | Sep 30, 2024 | M140442 |
| J2417537 | Certificate of Analysis | Sep 30, 2024 | M140442 |
| J2417538 | Certificate of Analysis | Sep 30, 2024 | M140442 |
| J2417539 | Certificate of Analysis | Sep 30, 2024 | M140442 |
| J2417543 | Certificate of Analysis | Sep 30, 2024 | M140442 |
| C2025128 | Certificate of Analysis | Jan 18, 2024 | M140442 |
| B2314154 | Certificate of Analysis | Feb 23, 2023 | M140442 |
| L2219113 | Certificate of Analysis | Jan 05, 2023 | M140442 |
| Punto de fusión (°C) | 145-148°C |
|---|---|
| Peso molecular | 181.260 g/mol |
| XLogP3 | 0.500 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 181.067 Da |
| Monoisotopic Mass | 181.067 Da |
| Topological Polar Surface Area | 82.200 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 160.000 |
| 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 |
