Acetic acid, ((4,6-dihydro-3-methyl-4-oxospiro(benzo(h)quinazoline-5(3H),1'-cyclohexan)-2-yl)thio)-, ethyl ester

Base Information

• Chemical Name: Acetic acid, ((4,6-dihydro-3-methyl-4-oxospiro(benzo(h)quinazoline-5(3H),1'-cyclohexan)-2-yl)thio)-, ethyl ester
• CAS No.: 172984-39-3
• Molecular Formula: C22H26N2O3S
• Molecular Weight: 398.5184
• DSSTox Substance ID: DTXSID20169446
• Wikidata: Q83039145
• Mol file: 172984-39-3.mol

Synonyms:172984-39-3;Acetic acid, ((4,6-dihydro-3-methyl-4-oxospiro(benzo(h)quinazoline-5(3H),1'-cyclohexan)-2-yl)thio)-, ethyl ester;ethyl 2-(3-methyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanylacetate;ethyl 2-(3-methyl-4-oxospiro[6H-benzo[h]quinazoline-5,1//'-cyclohexane]-2-yl)sulfanylacetate;Oprea1_254665;Oprea1_590171;DTXSID20169446;FQPHJCQYZPVDGH-UHFFFAOYSA-N;STK834785;AKOS000545024;AE-848/31945058;SR-01000514495;SR-01000514495-1;ethyl [(3-methyl-4-oxo-3,4,5,6-tetrahydrospiro{benzo[h]quinazoline-5,1'-cyclohexane}-2-yl)sulfanyl]acetate;ethyl [(3-methyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]acetate

Chemical Property of Acetic acid, ((4,6-dihydro-3-methyl-4-oxospiro(benzo(h)quinazoline-5(3H),1'-cyclohexan)-2-yl)thio)-, ethyl ester

Chemical Property:

• Boiling Point: 553°Cat760mmHg
• Flash Point: 288.3°C
• PSA: 86.49000
• Density: 1.29g/cm³
• LogP: 3.86050
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 398.16641387
• Heavy Atom Count: 28
• Complexity: 709

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CSC1=NC2=C(C(=O)N1C)C3(CCCCC3)CC4=CC=CC=C42