Obsolete: PY2
Summary
Name: | 3-(MERCAPTOMETHYLENE)PYRIDINE |
Formula: | C6 H7 N S |
Formal charge: | 0 |
Formula weight: | 125.191 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | pyridin-3-ylmethanethiol |
OpenEye OEToolkits | 1.5.0 | pyridin-3-ylmethanethiol |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | SCc1cccnc1 |
SMILES_CANONICAL | CACTVS | 3.341 | SCc1cccnc1 |
SMILES | CACTVS | 3.341 | SCc1cccnc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(cnc1)CS |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(cnc1)CS |
InChI | InChI | 1.03 | InChI=1S/C6H7NS/c8-5-6-2-1-3-7-4-6/h1-4,8H,5H2 |
InChIKey | InChI | 1.03 | MBXKCLHOVPXMCJ-UHFFFAOYSA-N |