| CID | 119570 |
|---|---|
| CAS | 104632-26-0 |
| InChI | InChI=1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7, 12H, 2-6H2, 1H3, (H2, 11, 13)/t7-/m0/s1 |
| InChIKey | FASDKYOPVNHBLU-ZETCQYMHSA-N |
| Isomeric SMILES | CCCN[C@H]1CCC2=C(C1)SC(=N2)N |
| Canonical SMILES | CCCNC1CCC2=C(C1)SC(=N2)N |
| IUPAC Name | (6S)-6-N-propyl-4, 5, 6, 7-tetrahydro-1, 3-benzothiazole-2, 6-diamine |
| Molecular Formula | C10H17N3S |
| Molecular Weight | 211.33 |
| Monoisotopic Mass | 211.11431873 |
| Polar Area | 79.2 |
| Complexity | 188 |
| XLogP | 1.9 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Physical Appearance | Clear Liquid |
| Stability | Room Temperature |
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