W16
Summary
| Name: | 5-(2-CHLOROETHYL)-1,3,4-THIADIAZOL-2-AMINE |
| Formula: | C4 H6 Cl N3 S |
| Formal charge: | 0 |
| Formula weight: | 163.629 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-(2-chloroethyl)-1,3,4-thiadiazol-2-amine |
| OpenEye OEToolkits | 1.7.2 | 5-(2-chloroethyl)-1,3,4-thiadiazol-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | ClCCc1nnc(s1)N |
| SMILES_CANONICAL | CACTVS | 3.370 | Nc1sc(CCCl)nn1 |
| SMILES | CACTVS | 3.370 | Nc1sc(CCCl)nn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | C(CCl)c1nnc(s1)N |
| SMILES | OpenEye OEToolkits | 1.7.2 | C(CCl)c1nnc(s1)N |
| InChI | InChI | 1.03 | InChI=1S/C4H6ClN3S/c5-2-1-3-7-8-4(6)9-3/h1-2H2,(H2,6,8) |
| InChIKey | InChI | 1.03 | XGIWQRDVHNRICP-UHFFFAOYSA-N |
