QH3
Summary
| Name: | 3,4-dichlorobenzyl carbamimidothioate |
| Formula: | C8 H8 Cl2 N2 S |
| Formal charge: | 0 |
| Formula weight: | 235.134 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3,4-dichlorobenzyl carbamimidothioate |
| OpenEye OEToolkits | 1.7.6 | (3,4-dichlorophenyl)methyl carbamimidothioate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1ccc(cc1Cl)CSC(=[N@H])N |
| InChI | InChI | 1.03 | InChI=1S/C8H8Cl2N2S/c9-6-2-1-5(3-7(6)10)4-13-8(11)12/h1-3H,4H2,(H3,11,12) |
| InChIKey | InChI | 1.03 | LZTCFLDZLBOLDW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=N)SCc1ccc(Cl)c(Cl)c1 |
| SMILES | CACTVS | 3.385 | NC(=N)SCc1ccc(Cl)c(Cl)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | [H]/N=C(\N)/SCc1ccc(c(c1)Cl)Cl |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(c(cc1CSC(=N)N)Cl)Cl |
