| CAS Number | 106670-25-1 |
| Catalog Number | AG019WYQ(AGN-PC-00O6MC) |
| Chemical Name | 2-{[(Naphthalen-1-yl)methyl]sulfanyl}ethan-1-amine |
| IUPAC Name | 2-(naphthalen-1-ylmethylsulfanyl)ethanamine |
| InChI | InChI=1S/C13H15NS/c14-8-9-15-10-12-6-3-5-11-4-1-2-7-13(11)12/h1-7H,8-10,14H2 |
| InChI Key | YSIYYYWNPCHYKN-UHFFFAOYSA-N |
| MDL Number | MFCD02763616 |
| Molecular Formula | C13H15NS |
| Molecular Weight | 217.3299 |
| SMILES | NCCSCC1=C2C(C=CC=C2)=CC=C1 |
| Synonyms | 2-[(naphthalen-1-ylmethyl)sulfanyl]ethan-1-amine,
106670-25-1,
SCHEMBL9867788,
CTK7E9500,
ZINC16844473,
AKOS000188481,
MCULE-3899526970,
NE27908,
2-[(1-Naphthylmethyl)thio]ethan-1-amine,
EN300-53547,
AC1Q54O5,
1-Amino-4-(1-naphthyl)-3-thiabutane,
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.092521g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.33g/mol |
| Monoisotopic Mass | 217.092521g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 51.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number