IT5
Summary
| Name: | 4-cyano-4-phenylpiperidine-1-carbodithioic acid |
| Formula: | C13 H14 N2 S2 |
| Formal charge: | 0 |
| Formula weight: | 262.394 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-cyano-4-phenylpiperidine-1-carbodithioic acid |
| OpenEye OEToolkits | 1.7.0 | 4-cyano-4-phenyl-piperidine-1-carbodithioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | S=C(S)N2CCC(C#N)(c1ccccc1)CC2 |
| SMILES_CANONICAL | CACTVS | 3.370 | SC(=S)N1CCC(CC1)(C#N)c2ccccc2 |
| SMILES | CACTVS | 3.370 | SC(=S)N1CCC(CC1)(C#N)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)C2(CCN(CC2)C(=S)S)C#N |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)C2(CCN(CC2)C(=S)S)C#N |
| InChI | InChI | 1.03 | InChI=1S/C13H14N2S2/c14-10-13(11-4-2-1-3-5-11)6-8-15(9-7-13)12(16)17/h1-5H,6-9H2,(H,16,17) |
| InChIKey | InChI | 1.03 | GPPHSVWKEUXGQQ-UHFFFAOYSA-N |
