QGT
Summary
| Name: | ~{N}-tridecylmethanethioamide |
| Synonyms: | Tetradecyl-1-isothiocyanate (reacted form) TITC (reacted form) |
| Formula: | C14 H29 N S |
| Formal charge: | 0 |
| Formula weight: | 243.452 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | ~{N}-tridecylmethanethioamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H29NS/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-14-16/h14H,2-13H2,1H3,(H,15,16) |
| InChIKey | InChI | 1.06 | QJLABHJQAGUEGP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCCCCCCCNC=S |
| SMILES | CACTVS | 3.385 | CCCCCCCCCCCCCNC=S |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CCCCCCCCCCCCCNC=S |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CCCCCCCCCCCCCNC=S |
