| CAS Number | 91267-24-2 |
| Catalog Number | AG00J416(AGN-PC-078MQZ) |
| Chemical Name | [4-(propylthio)phenyl]amine hydrochloride |
| IUPAC Name | 4-propylsulfanylaniline;hydrochloride |
| InChI | InChI=1S/C9H13NS.ClH/c1-2-7-11-9-5-3-8(10)4-6-9;/h3-6H,2,7,10H2,1H3;1H |
| InChI Key | NIZMLJZTRGWZRP-UHFFFAOYSA-N |
| MDL Number | MFCD04128772 |
| Molecular Formula | C9H14ClNS |
| Molecular Weight | 203.7322 |
| SMILES | C1(=CC=C(C=C1)N)SCCC.Cl |
| Synonyms | [4-(Propylthio)phenyl]amine hydrochloride,
91267-24-2,
ZX-CM018166,
MFCD01191736,
4-(Propylthio)aniline hydrochloride, AldrichCPR,
9071293-25G,
22133-40-0,
|
| Complexity | 97.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.728g/mol |
| Monoisotopic Mass | 203.054g/mol |
| Rotatable Bond Count | 3 |
| 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