| CAS Number | 1049762-60-8 |
| Catalog Number | AG00HAJQ(AGN-PC-0WR4KJ) |
| Chemical Name | 4-[(3,4-dimethylphenyl)sulfanyl]aniline hydrochloride |
| IUPAC Name | 4-(3,4-dimethylphenyl)sulfanylaniline;hydrochloride |
| InChI | InChI=1S/C14H15NS.ClH/c1-10-3-6-14(9-11(10)2)16-13-7-4-12(15)5-8-13;/h3-9H,15H2,1-2H3;1H |
| InChI Key | YASMYLIXACCLLT-UHFFFAOYSA-N |
| MDL Number | MFCD07284195 |
| Molecular Formula | C14H16ClNS |
| Molecular Weight | 265.8015 |
| SMILES | Cl.CC1=C(C)C=C(SC2=CC=C(N)C=C2)C=C1 |
| Synonyms | 1049762-60-8,
4-[(3,4-dimethylphenyl)sulfanyl]aniline hydrochloride,
4-[(3,4-dimethylphenyl)thio]aniline hydrochloride,
AC1Q39BF,
CTK7D7962,
MFCD07284195,
MCULE-5771531397,
NE13482,
4-[(3,4-Dimethylphenyl)thio]aniline, HCl,
EN300-06191,
Z56921410,
|
| 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