3-Benzyl-1-isopropyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbothioamide

Base Information

• Chemical Name: 3-Benzyl-1-isopropyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbothioamide
• CAS No.: 175203-49-3
• Molecular Formula: C15H17 N3 O2 S
• Molecular Weight: 303.38
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID80381304
• Wikidata: Q82172047
• ChEMBL ID: CHEMBL1559478
• Mol file: 175203-49-3.mol

Synonyms:175203-49-3;3-benzyl-1-isopropyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbothioamide;3-benzyl-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbothioamide;3-benzyl-2,4-dioxo-1-(propan-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carbothioamide;HMS555B07;Maybridge1_004781;Oprea1_452403;MLS001182130;CHEMBL1559478;DTXSID80381304;ZEFAEYFGHMWLLI-UHFFFAOYSA-N;HMS2870K18;MFCD00203982;AKOS015908716;AS-9122;CCG-238470;SB57964;SMR000567755;CS-0324163;FT-0615093;A811869;BRD-K19653562-001-07-5;2,4-dioxo-3-(phenylmethyl)-1-propan-2-yl-5-pyrimidinecarbothioamide;2,4-bis(oxidanylidene)-3-(phenylmethyl)-1-propan-2-yl-pyrimidine-5-carbothioamide

Chemical Property of 3-Benzyl-1-isopropyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbothioamide

Chemical Property:

• Vapor Pressure: 2.72E-08mmHg at 25°C
• Melting Point: 173 °C
• Boiling Point: 450.1°Cat760mmHg
• Flash Point: 226°C
• PSA: 102.11000
• Density: 1.321g/cm³
• LogP: 1.97370
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 303.10414797
• Heavy Atom Count: 21
• Complexity: 481

Purity/Quality:

98%min ^*data from raw suppliers

3-Benzyl-1-isopropyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbothioamide ^*data from reagent suppliers

Safty Information:

• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)N1C=C(C(=O)N(C1=O)CC2=CC=CC=C2)C(=S)N