| CAS Number | 156813-62-6 |
| Catalog Number | AG019ICE |
| Chemical Name | 4-[(4-bromophenyl)sulfanyl]aniline hydrochloride |
| IUPAC Name | 4-(4-bromophenyl)sulfanylaniline;hydrochloride |
| InChI | InChI=1S/C12H10BrNS.ClH/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12;/h1-8H,14H2;1H |
| InChI Key | HGQYZJGBVQGPNS-UHFFFAOYSA-N |
| MDL Number | MFCD07284281 |
| Molecular Formula | C12H11BrClNS |
| Molecular Weight | 316.6444 |
| SMILES | NC1=CC=C(SC2=CC=C(Br)C=C2)C=C1.[H]Cl |
| Synonyms | 4-[(4-bromophenyl)thio]aniline hydrochloride,
4-[(4-bromophenyl)sulfanyl]aniline hydrochloride,
37750-33-7,
156813-62-6,
4-((4-Bromophenyl)thio)aniline hydrochloride,
AC1Q3CZ9,
CTK8F5538,
AKOS027380848,
MCULE-5727311649,
NE21370,
EN300-06333,
Z56923309,
|
| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 314.948g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 316.641g/mol |
| Monoisotopic Mass | 314.948g/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