XJP
Summary
| Name: | (2S,4R)-1,3-thiazolidine-2,4-diamine |
| Formula: | C3 H9 N3 S |
| Formal charge: | 0 |
| Formula weight: | 119.189 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S,4R)-1,3-thiazolidine-2,4-diamine |
| OpenEye OEToolkits | 2.0.7 | (2~{S},4~{R})-1,3-thiazolidine-2,4-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NC1NC(SC1)N |
| InChI | InChI | 1.03 | InChI=1S/C3H9N3S/c4-2-1-7-3(5)6-2/h2-3,6H,1,4-5H2/t2-,3+/m1/s1 |
| InChIKey | InChI | 1.03 | QLBSFPQCZZUQIJ-GBXIJSLDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@H]1CS[C@@H](N)N1 |
| SMILES | CACTVS | 3.385 | N[CH]1CS[CH](N)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1[C@@H](N[C@@H](S1)N)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1C(NC(S1)N)N |
