| CAS Number | 34946-13-9 |
| Catalog Number | AG00J2YQ(AGN-PC-01FMRW) |
| Chemical Name | [2-(Phenylthio)ethyl]amine hydrochloride |
| IUPAC Name | 2-phenylsulfanylethanamine;hydrochloride |
| InChI | InChI=1S/C8H11NS.ClH/c9-6-7-10-8-4-2-1-3-5-8;/h1-5H,6-7,9H2;1H |
| InChI Key | ZHXISMXDCUJVCY-UHFFFAOYSA-N |
| MDL Number | MFCD00464838 |
| Molecular Formula | C8H12ClNS |
| Molecular Weight | 189.7056 |
| SMILES | S(CCN)C1=CC=CC=C1.Cl |
| Synonyms | 34946-13-9,
2-(Phenylthio)ethanamine hydrochloride,
[2-(phenylthio)ethyl]amine hydrochloride,
2-aminoethyl phenyl sulfide hydrochloride,
SCHEMBL3671919,
ZX-CM010944,
MFCD00464838,
AKOS016367766,
MCULE-1058168518,
2-benzolsulfynyl-ethylamine; hydrochloride,
A-7053,
PAES,
C8H12ClNS,
C8-H11-N-S.Cl-H,
Phenyl-2-aminoethyl sulfide hydrochloride,
ETHANAMINE, 2-(PHENYLTHIO)-, HYDROCHLORIDE,
60523-52-6,
|
| Complexity | 79.3 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.701g/mol |
| Monoisotopic Mass | 189.038g/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