A1CV6
Summary
| Name: | 1,3-diazepane-2-thione |
| Formula: | C5 H10 N2 S |
| Formal charge: | 0 |
| Formula weight: | 130.211 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 1,3-diazepane-2-thione |
| OpenEye OEToolkits | 3.1.0.0 | 1,3-diazepane-2-thione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | S=C1NCCCCN1 |
| InChI | InChI | 1.06 | InChI=1S/C5H10N2S/c8-5-6-3-1-2-4-7-5/h1-4H2,(H2,6,7,8) |
| InChIKey | InChI | 1.06 | ZLJLVKBAMJHNJH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | S=C1NCCCCN1 |
| SMILES | CACTVS | 3.385 | S=C1NCCCCN1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C1CCNC(=S)NC1 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | C1CCNC(=S)NC1 |
