SS9
Summary
| Name: | 5-[(3-aminopropyl)amino]pentane-1-thiol |
| Formula: | C8 H20 N2 S |
| Formal charge: | 0 |
| Formula weight: | 176.323 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-[(3-aminopropyl)amino]pentane-1-thiol |
| OpenEye OEToolkits | 1.9.2 | 5-(3-azanylpropylamino)pentane-1-thiol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(N)CCNCCCCCS |
| InChI | InChI | 1.03 | InChI=1S/C8H20N2S/c9-5-4-7-10-6-2-1-3-8-11/h10-11H,1-9H2 |
| InChIKey | InChI | 1.03 | UEAAWEWNMXIYCA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCCNCCCCCS |
| SMILES | CACTVS | 3.385 | NCCCNCCCCCS |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C(CCNCCCN)CCS |
| SMILES | OpenEye OEToolkits | 1.9.2 | C(CCNCCCN)CCS |
