A1CWN
Summary
| Name: | N-[(thiophen-2-yl)methyl]hydrazinecarbothioamide |
| Formula: | C6 H9 N3 S2 |
| Formal charge: | 0 |
| Formula weight: | 187.286 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N-[(thiophen-2-yl)methyl]hydrazinecarbothioamide |
| OpenEye OEToolkits | 3.1.0.0 | 1-azanyl-3-(thiophen-2-ylmethyl)thiourea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | S=C(NCc1cccs1)NN |
| InChI | InChI | 1.06 | InChI=1S/C6H9N3S2/c7-9-6(10)8-4-5-2-1-3-11-5/h1-3H,4,7H2,(H2,8,9,10) |
| InChIKey | InChI | 1.06 | NBBHGLQLAPFLFP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NNC(=S)NCc1sccc1 |
| SMILES | CACTVS | 3.385 | NNC(=S)NCc1sccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(sc1)CNC(=S)NN |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(sc1)CNC(=S)NN |
