Compound Summary
Compound Information
1,3-PBIT dihydrobromide
Compound Name: | 1,3-PBIT dihydrobromide |
Compound CID: | 11957662 |
Synonyms: | 1,3-PBIT dihydrobromide 1,3-PBIT (dihydrobromide) 200716-66-1 2-3-(2-carbamimidoylsulfanylethyl)phenylethyl carbamimidothioate;dihydrobromide SR-01000076083 More... |
Iupac Name: | 2-[3-(2-carbamimidoylsulfanylethyl)phenyl]ethyl carbamimidothioate;dihydrobromide |
InChI: | InChI=1S/C12H18N4S2.2BrH/c13-11(14)17-6-4-9-2-1-3-10(8-9)5-7-18-12(15)16;;/h1-3,8H,4-7H2,(H3,13,14)(H3,15,16);2*1H |
InChIKey: | WCXGFTJSDASEPR-UHFFFAOYSA-N |
Canonical Smiles: | C1=CC(=CC(=C1)CCSC(=N)N)CCSC(=N)N.Br.Br |
Isomeric Smiles: | C1=CC(=CC(=C1)CCSC(=N)N)CCSC(=N)N.Br.Br |
Molecular Weight: | 444.3 |
Molecular Formula: | C12H20Br2N4S2 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
1,3-PBIT dihydrobromide
Molecular Weight: | 444.3 |
Molecular Formula: | C12H20Br2N4S2 |
Hydrogen Bond Donor Count: | 6 |
Hydrogen Bond Acceptor Count: | 4 |
Rotatable Bond Count: | 8 |
Heavy Atom Count: | 20 |
Complexity: | 257 |
Synonyms
1,3-PBIT dihydrobromide
| 1,3-PBIT dihydrobromide | 1,3-PBIT dihydrobromide |
|---|---|
1,3-PBIT dihydrobromide |
1,3-PBIT (dihydrobromide) |
200716-66-1 |
2-3-(2-carbamimidoylsulfanylethyl)phenylethyl carbamimidothioate;dihydrobromide |
SR-01000076083 |
EU-0100963 |
SCHEMBL4425140 |
CHEMBL1527769 |
NCGC00094264-01 |
NCGC00094264-02 |
P 8227 |
SR-01000076083-1 |
SR-01000076083-5 |
Phenylene-1,3-bis(ethane-2-isothiourea) dihydrobromide |
Experimental Data
1,3-PBIT dihydrobromide
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33 | umol/L | 5 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
1,3-PBIT dihydrobromide
Statistics Data
1,3-PBIT dihydrobromide
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 5 | 1 | 1 |
Statistics Data Visualization
1,3-PBIT dihydrobromide
