AJ3
Summary
| Name: | 3-(PROP-2-ENE-1-SULFINYL)-PROPENE-1-THIOL |
| Formula: | C6 H10 O S2 |
| Formal charge: | 0 |
| Formula weight: | 162.273 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (1E)-3-[(R)-prop-2-en-1-ylsulfinyl]prop-1-ene-1-thiol |
| OpenEye OEToolkits | 1.5.0 | (E)-3-[(R)-prop-2-enylsulfinyl]prop-1-ene-1-thiol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=S(C\C=C)C\C=C\S |
| InChI | InChI | 1.03 | InChI=1S/C6H10OS2/c1-2-5-9(7)6-3-4-8/h2-4,8H,1,5-6H2/b4-3+/t9-/m1/s1 |
| InChIKey | InChI | 1.03 | HSVQDVSVQIMRSS-CDAZIORVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | S\C=C\C[S@](=O)CC=C |
| SMILES | CACTVS | 3.385 | SC=CC[S](=O)CC=C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.5 | C=CC[S@@](=O)C/C=C/S |
| SMILES | OpenEye OEToolkits | 1.7.5 | C=CCS(=O)CC=CS |
