BP9
Summary
| Name: | 5,5'-butane-1,4-diylbis(1,3,4-thiadiazol-2-amine) |
| Formula: | C8 H12 N6 S2 |
| Formal charge: | 0 |
| Formula weight: | 256.351 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5,5'-butane-1,4-diylbis(1,3,4-thiadiazol-2-amine) |
| OpenEye OEToolkits | 1.7.6 | 5-[4-(5-azanyl-1,3,4-thiadiazol-2-yl)butyl]-1,3,4-thiadiazol-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1nc(sc1CCCCc2nnc(s2)N)N |
| InChI | InChI | 1.03 | InChI=1S/C8H12N6S2/c9-7-13-11-5(15-7)3-1-2-4-6-12-14-8(10)16-6/h1-4H2,(H2,9,13)(H2,10,14) |
| InChIKey | InChI | 1.03 | FXLSMCSUYSZCFA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Nc1sc(CCCCc2sc(N)nn2)nn1 |
| SMILES | CACTVS | 3.370 | Nc1sc(CCCCc2sc(N)nn2)nn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C(CCc1nnc(s1)N)Cc2nnc(s2)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | C(CCc1nnc(s1)N)Cc2nnc(s2)N |
