| CAS Number | 16822-45-0 |
| Catalog Number | AG01E874(AGN-PC-0Q97AW) |
| Chemical Name | 2-[(2-aminoethyl)sulfanyl]ethan-1-amine dihydrochloride |
| IUPAC Name | 2-(2-aminoethylsulfanyl)ethanamine;dihydrochloride |
| InChI | InChI=1S/C4H12N2S.2ClH/c5-1-3-7-4-2-6;;/h1-6H2;2*1H |
| InChI Key | VSLQHTWGCCGXSZ-UHFFFAOYSA-N |
| MDL Number | MFCD30734108 |
| Molecular Formula | C4H14Cl2N2S |
| Molecular Weight | 193.1384 |
| SMILES | Cl.Cl.NCCSCCN |
| Synonyms | SCHEMBL11801806,
2-[(2-Aminoethyl)sulfanyl]ethan-1-amine dihydrochloride,
16822-45-0,
|
| Complexity | 28.9 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.13g/mol |
| Monoisotopic Mass | 192.025g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 77.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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