IPU
Summary
| Name: | S-ISOPROPYL-ISOTHIOUREA |
| Formula: | C4 H10 N2 S |
| Formal charge: | 0 |
| Formula weight: | 118.201 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1-methylethyl imidothiocarbamate |
| OpenEye OEToolkits | 1.5.0 | propan-2-ylsulfanylmethanimidamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | [N@H]=C(SC(C)C)N |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)SC(N)=N |
| SMILES | CACTVS | 3.341 | CC(C)SC(N)=N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)SC(=N)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)SC(=N)N |
| InChI | InChI | 1.03 | InChI=1S/C4H10N2S/c1-3(2)7-4(5)6/h3H,1-2H3,(H3,5,6) |
| InChIKey | InChI | 1.03 | XSSNABKEYXKKMK-UHFFFAOYSA-N |
