| CAS Number | 40379-31-5 |
| Catalog Number | AG00J14X(AGN-PC-0RN5OU) |
| Chemical Name | [2-(2-Pyridinylthio)ethyl]amine dihydrochloride |
| IUPAC Name | 2-pyridin-2-ylsulfanylethanamine;dihydrochloride |
| InChI | InChI=1S/C7H10N2S.2ClH/c8-4-6-10-7-3-1-2-5-9-7;;/h1-3,5H,4,6,8H2;2*1H |
| InChI Key | BGIQYSPQXGGCOU-UHFFFAOYSA-N |
| MDL Number | MFCD18205888 |
| Molecular Formula | C7H12Cl2N2S |
| Molecular Weight | 227.1546 |
| SMILES | N1C=CC=CC=1SCCN.Cl.Cl |
| Synonyms | 2-(pyridin-2-ylthio)ethanamine dihydrochloride,
40379-31-5,
[2-(2-pyridinylthio)ethyl]amine dihydrochloride,
[2-(PYRIDIN-2-YLTHIO)ETHYL]AMINE DIHYDROCHLORIDE,
SCHEMBL4286924,
ZX-CM002962,
MFCD18205888,
AKOS032962987,
MCULE-1954758229,
2-[(2-aminoethyl)sulfanyl]pyridine dihydrochloride,
4004872-25G,
42416-20-6,
|
| Complexity | 87.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.147g/mol |
| Monoisotopic Mass | 226.01g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 64.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number