3-(3-(Dimethylamino)propyl)-5-isobutyl-2-thiohydantoin

Base Information

• Chemical Name: 3-(3-(Dimethylamino)propyl)-5-isobutyl-2-thiohydantoin
• CAS No.: 86503-13-1
• Molecular Formula: C12H23N3OS
• Molecular Weight: 257.4
• DSSTox Substance ID: DTXSID101006872
• Nikkaji Number: J59.853D
• Mol file: 86503-13-1.mol

Synonyms:86503-13-1;3-(3-(Dimethylamino)propyl)-5-isobutyl-2-thiohydantoin;Hydantoin, 3-(3-(dimethylamino)propyl)-5-isobutyl-2-thio-;4-Imidazolidinone, 3-(3-(dimethylamino)propyl)-5-(2-methylpropyl)-2-thioxo-, (R*,R*)- (+-)-;3-(3-(Dimethylamino)propyl)-5-isobutyl-2-thioxoimidazolidin-4-one;C12H23N3OS;DTXSID101006872;LS-76116;3-(3-Dimethylaminopropyl)-5-isobutyl-2-thioxoimidazolidin-4-one;3-[3-(Dimethylamino)propyl]-5-(2-methylpropyl)-2-sulfanyl-3,5-dihydro-4H-imidazol-4-one

Chemical Property of 3-(3-(Dimethylamino)propyl)-5-isobutyl-2-thiohydantoin

Chemical Property:

• Vapor Pressure: 0.000177mmHg at 25°C
• Boiling Point: 329.5°C at 760 mmHg
• PKA: 11.56±0.40(Predicted)
• Flash Point: 153°C
• PSA: 74.71000
• Density: 1.1g/cm³
• LogP: 0.85430
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 257.15618354
• Heavy Atom Count: 17
• Complexity: 292

Purity/Quality:

HYDANTOIN, 3-(3-(DIMETHYLAMINO)PROPYL)-5-ISOBUTYL-2-THIO- 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC1C(=O)N(C(=S)N1)CCCN(C)C