Hydantoin, 5-sec-butyl-3-(3-(dimethylamino)propyl)-2-thio-

Base Information

• Chemical Name: Hydantoin, 5-sec-butyl-3-(3-(dimethylamino)propyl)-2-thio-
• CAS No.: 86503-14-2
• Molecular Formula: C12H23N3OS
• Molecular Weight: 257.3955
• DSSTox Substance ID: DTXSID30235606
• Wikidata: Q76278511
• Mol file: 86503-14-2.mol

Synonyms:Hydantoin, 5-sec-butyl-3-(3-(dimethylamino)propyl)-2-thio-;5-sec-Butyl-3-(3-(dimethylamino)propyl)-2-thiohydantoin;86503-14-2;4-Imidazolidinone, 3-(3-(dimethylamino)propyl)-5-(1-methylpropyl)-2-thioxo-, (R*,R*)-(+-)-;DTXSID30235606;LS-76026

Chemical Property of Hydantoin, 5-sec-butyl-3-(3-(dimethylamino)propyl)-2-thio-

Chemical Property:

• Vapor Pressure: 0.00018mmHg at 25°C
• Boiling Point: 329.2°Cat760mmHg
• PKA: 11.56±0.40(Predicted)
• Flash Point: 152.9°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: 294

Purity/Quality:

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)C1C(=O)N(C(=S)N1)CCCN(C)C
• Isomeric SMILES: CC[C@@H](C)[C@@H]1C(=O)N(C(=S)N1)CCCN(C)C

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