XL3
Summary
Name: | propane-1-thiol |
Formula: | C3 H8 S |
Formal charge: | 0 |
Formula weight: | 76.161 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | propane-1-thiol |
OpenEye OEToolkits | 1.5.0 | propane-1-thiol |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | SCCC |
SMILES_CANONICAL | CACTVS | 3.341 | CCCS |
SMILES | CACTVS | 3.341 | CCCS |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCS |
SMILES | OpenEye OEToolkits | 1.5.0 | CCCS |
InChI | InChI | 1.03 | InChI=1S/C3H8S/c1-2-3-4/h4H,2-3H2,1H3 |
InChIKey | InChI | 1.03 | SUVIGLJNEAMWEG-UHFFFAOYSA-N |