| CAS Number | 1049755-55-6 |
| Catalog Number | AG019IEF |
| Chemical Name | 4-[(2,4-Dimethylphenyl)sulfanyl]aniline hydrochloride |
| IUPAC Name | 4-(2,4-dimethylphenyl)sulfanylaniline;hydrochloride |
| InChI | InChI=1S/C14H15NS.ClH/c1-10-3-8-14(11(2)9-10)16-13-6-4-12(15)5-7-13;/h3-9H,15H2,1-2H3;1H |
| InChI Key | DLQYXWSCPPGOJA-UHFFFAOYSA-N |
| MDL Number | MFCD07284384 |
| Molecular Formula | C14H16ClNS |
| Molecular Weight | 265.8015 |
| SMILES | NC1=CC=C(SC2=CC=C(C)C=C2C)C=C1.[H]Cl |
| Synonyms | 4-[(2,4-dimethylphenyl)sulfanyl]aniline hydrochloride,
1049755-55-6,
4-[(2,4-dimethylphenyl)thio]aniline hydrochloride,
AC1Q39EJ,
CTK7D7965,
MCULE-5919100661,
NE13483,
EN300-06495,
Z56924564,
|
| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.799g/mol |
| Monoisotopic Mass | 265.069g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 51.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number