9AI
Summary
| Name: | N-prop-2-en-1-ylthioformamide |
| Formula: | C4 H7 N S |
| Formal charge: | 0 |
| Formula weight: | 101.17 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-prop-2-en-1-ylthioformamide |
| OpenEye OEToolkits | 1.7.6 | N-prop-2-enylmethanethioamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | S=CNC\C=C |
| InChI | InChI | 1.03 | InChI=1S/C4H7NS/c1-2-3-5-4-6/h2,4H,1,3H2,(H,5,6) |
| InChIKey | InChI | 1.03 | PDIXEKZHQJNVMI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C=CCNC=S |
| SMILES | CACTVS | 3.385 | C=CCNC=S |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C=CCNC=S |
| SMILES | OpenEye OEToolkits | 1.7.6 | C=CCNC=S |
