P58
Summary
| Name: | benzyl(methyl)carbamodithioic acid |
| Formula: | C9 H11 N S2 |
| Formal charge: | 0 |
| Formula weight: | 197.32 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | benzyl(methyl)carbamodithioic acid |
| OpenEye OEToolkits | 1.7.0 | methyl(phenylmethyl)carbamodithioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | S=C(S)N(C)Cc1ccccc1 |
| SMILES_CANONICAL | CACTVS | 3.370 | CN(Cc1ccccc1)C(S)=S |
| SMILES | CACTVS | 3.370 | CN(Cc1ccccc1)C(S)=S |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CN(Cc1ccccc1)C(=S)S |
| SMILES | OpenEye OEToolkits | 1.7.0 | CN(Cc1ccccc1)C(=S)S |
| InChI | InChI | 1.03 | InChI=1S/C9H11NS2/c1-10(9(11)12)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,11,12) |
| InChIKey | InChI | 1.03 | KVRJHAJGPHILSK-UHFFFAOYSA-N |
