| Canonical Smiles | C1=C(SC(=C1)Cl)N.Cl |
|---|---|
| IUPAC Name | 5-chlorothiophen-2-amine;hydrochloride |
| InChIKey | XXXVGLUJJDGMTM-UHFFFAOYSA-N |
| INCHI | 1S/C4H4ClNS.ClH/c5-3-1-2-4(6)7-3;/h1-2H,6H2;1H |
| Isomeric SMILES | C1=C(SC(=C1)Cl)N.Cl |
| Alternate CAS | 1070886-43-9 |
| PubChem CID | 66570662 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Thiophenes |
| Subclass | 2,5-disubstituted thiophenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 2,5-disubstituted thiophenes |
| Alternative Parents | Aryl chlorides 2-aminothiophenes Heteroaromatic compounds Primary amines Organochlorides Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2,5-disubstituted thiophene - 2-aminothiophene - Aryl halide - Aryl chloride - Heteroaromatic compound - Organic nitrogen compound - Hydrocarbon derivative - Hydrochloride - Primary amine - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 2,5-disubstituted thiophenes. These are organic compounds containing a thiophene that is disubstituted at the C-2, and C5-positions. |
| External Descriptors | Not available |
| Molecular Weight | 170.060 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 168.952 Da |
| Monoisotopic Mass | 168.952 Da |
| Topological Polar Surface Area | 54.300 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 68.700 |
| 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 | 2 |
