F06
Summary
| Name: | 2-chlorobenzyl carbamimidothioate |
| Formula: | C8 H9 Cl N2 S |
| Formal charge: | 0 |
| Formula weight: | 200.688 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-chlorobenzyl carbamimidothioate |
| OpenEye OEToolkits | 1.7.0 | (2-chlorophenyl)methyl carbamimidothioate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1ccccc1CSC(=[N@H])N |
| SMILES_CANONICAL | CACTVS | 3.370 | NC(=N)SCc1ccccc1Cl |
| SMILES | CACTVS | 3.370 | NC(=N)SCc1ccccc1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | [H]/N=C(\N)/SCc1ccccc1Cl |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(c(c1)CSC(=N)N)Cl |
| InChI | InChI | 1.03 | InChI=1S/C8H9ClN2S/c9-7-4-2-1-3-6(7)5-12-8(10)11/h1-4H,5H2,(H3,10,11) |
| InChIKey | InChI | 1.03 | SFKYKNIIEFCNBX-UHFFFAOYSA-N |
