Compound Summary
1,4-PB-ITU dihydrobromide
Compound Information
1,4-PB-ITU dihydrobromide
Compound Name: | 1,4-PB-ITU dihydrobromide |
Compound CID: | 11957667 |
Synonyms: | 1,4-PB-ITU dihydrobromide 157254-60-9 1,4-PBIT dihydrobromide PBIT (dihydrobromide) 2-4-(2-carbamimidoylsulfanylethyl)phenylethyl carbamimidothioate;dihydrobromide More... |
Iupac Name: | 2-[4-(2-carbamimidoylsulfanylethyl)phenyl]ethyl carbamimidothioate;dihydrobromide |
InChI: | InChI=1S/C12H18N4S2.2BrH/c13-11(14)17-7-5-9-1-2-10(4-3-9)6-8-18-12(15)16;;/h1-4H,5-8H2,(H3,13,14)(H3,15,16);2*1H |
InChIKey: | YRRYHMLYGVNPBW-UHFFFAOYSA-N |
Canonical Smiles: | C1=CC(=CC=C1CCSC(=N)N)CCSC(=N)N.Br.Br |
Isomeric Smiles: | C1=CC(=CC=C1CCSC(=N)N)CCSC(=N)N.Br.Br |
Molecular Weight: | 444.3 |
Molecular Formula: | C12H20Br2N4S2 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
1,4-PB-ITU 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: | 247 |
Synonyms
1,4-PB-ITU dihydrobromide
| 1,4-PB-ITU dihydrobromide | 1,4-PB-ITU dihydrobromide |
|---|---|
1,4-PB-ITU dihydrobromide |
157254-60-9 |
1,4-PBIT dihydrobromide |
PBIT (dihydrobromide) |
2-4-(2-carbamimidoylsulfanylethyl)phenylethyl carbamimidothioate;dihydrobromide |
Carbamimidothioic acid, C,C-(1,4-phenylenedi-2,1-ethanediyl) ester, hydrobromide (1:2) |
SR-01000076085 |
S,S-1,4-phenylene-bis(1,2-ethanediyl)bis-isothiourea |
1,4-PBIT dihydobromide |
EU-0100983 |
C12H18N4S2.2HBr |
SCHEMBL2283156 |
CHEMBL1451880 |
DTXSID70474698 |
1127AH |
AKOS015910211 |
LP00983 |
NCGC00094283-01 |
DB-043348 |
FT-0643537 |
P 8352 |
1,4-Phenylene-bis(1,2-ethanediyl)bis-isothiourea |
J-009398 |
SR-01000076085-1 |
SR-01000076085-5 |
2,2-(1,4-phenylene)bis(ethane-2,1-diyl) dicarbamimidothioate dihydrobromide" |
Experimental Data
1,4-PB-ITU dihydrobromide
| Species | Dose | Unit | Control(Avg days) | Treatment(Avg days) | Avg/Med Lifespan Change(%) | Control(Max days) | Treatment(Max days) | Max Lifespan Change(%) | Significant | Strain | Gender | PubMed | Avg/Med Lifespan Change tab |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33.000000000000000 | umol/L | -9.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
1,4-PB-ITU dihydrobromide
Statistics Data
1,4-PB-ITU dihydrobromide
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -9.000000000000000 | 1 | 1 |
Statistics Data Visualization
1,4-PB-ITU dihydrobromide
