| CAS Number | 2060047-59-6 |
| Catalog Number | AG01C05J |
| Chemical Name | 2-(5-methylthiophen-2-yl)aniline hydrochloride |
| IUPAC Name | 2-(5-methylthiophen-2-yl)aniline;hydrochloride |
| InChI | InChI=1S/C11H11NS.ClH/c1-8-6-7-11(13-8)9-4-2-3-5-10(9)12;/h2-7H,12H2,1H3;1H |
| InChI Key | ULXUPSCREQXMNK-UHFFFAOYSA-N |
| MDL Number | MFCD30497830 |
| Molecular Formula | C11H12ClNS |
| Molecular Weight | 225.7377 |
| SMILES | Cl.CC1SC(C2=C(N)C=CC=C2)=CC=1 |
| Synonyms | 2-(5-methylthiophen-2-yl)aniline hydrochloride,
2060047-59-6,
AKOS030760685,
Z2719318882,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.734g/mol |
| Monoisotopic Mass | 225.038g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number