| CAS Number | 869297-07-4 |
| Catalog Number | AG00J0ZI(AGN-PC-0WB6FK) |
| Chemical Name | [3-(methylthio)benzyl]amine hydrochloride |
| IUPAC Name | (3-methylsulfanylphenyl)methanamine;hydrochloride |
| InChI | InChI=1S/C8H11NS.ClH/c1-10-8-4-2-3-7(5-8)6-9;/h2-5H,6,9H2,1H3;1H |
| InChI Key | BSQUCPXNHLDJFZ-UHFFFAOYSA-N |
| MDL Number | MFCD11841205 |
| Molecular Formula | C8H12ClNS |
| Molecular Weight | 189.7056 |
| SMILES | Cl.CSC=1C=C(C=CC1)CN |
| Synonyms | 869297-07-4,
[3-(Methylthio)benzyl]amine hydrochloride,
(3-(Methylthio)phenyl)methanamine hydrochloride,
SCHEMBL4935448,
ZX-CM002225,
MFCD11841205,
AKOS027426938,
MCULE-8923020623,
1-[3-(Methylthio)phenyl]methanamine hydrochloride,
1-[3-(Methylthio)phenyl]methanamine hydrochloride, AldrichCPR,
|
| Complexity | 95.3 |
| 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 | 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