| CAS Number | 92902-55-1 |
| Catalog Number | AG01B6CA |
| Chemical Name | 3-(Phenylsulfanyl)aniline hydrochloride |
| IUPAC Name | 3-phenylsulfanylaniline;hydrochloride |
| InChI | InChI=1S/C12H11NS.ClH/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11;/h1-9H,13H2;1H |
| InChI Key | JBNPXZDDLIRRTF-UHFFFAOYSA-N |
| MDL Number | MFCD30342801 |
| Molecular Formula | C12H12ClNS |
| Molecular Weight | 237.7484 |
| SMILES | Cl.NC1=CC(SC2=CC=CC=C2)=CC=C1 |
| Synonyms | 3-(phenylsulfanyl)aniline hydrochloride,
92902-55-1,
|
| Complexity | 166 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.745g/mol |
| Monoisotopic Mass | 237.038g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 51.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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