[(4,6-Dimethylpyrimidin-2-yl)sulfanyl](phenyl)acetate

Base Information

• Chemical Name: [(4,6-Dimethylpyrimidin-2-yl)sulfanyl](phenyl)acetate
• CAS No.: 87125-95-9
• Molecular Formula: C₁₄H₁₄N₂O₂S
• Molecular Weight: 274.343
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID901007355
• Wikidata: Q83003335
• Mol file: 87125-95-9.mol

Synonyms:DTXSID901007355;[(4,6-Dimethylpyrimidin-2-yl)sulfanyl](phenyl)acetate

Chemical Property of [(4,6-Dimethylpyrimidin-2-yl)sulfanyl](phenyl)acetate

Chemical Property:

• Vapor Pressure: 6.62E-09mmHg at 25°C
• Boiling Point: 450.6°C at 760 mmHg
• Flash Point: 226.3°C
• PSA: 88.38000
• LogP: 3.01140
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 273.06977384
• Heavy Atom Count: 19
• Complexity: 292

Purity/Quality:

98%min ^*data from raw suppliers

(4,6-Dimethyl-pyrimidin-2-ylsulfanyl)-phenyl-acetic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=NC(=N1)SC(C2=CC=CC=C2)C(=O)[O-])C
• Isomeric SMILES: CC1=CC(=NC(=N1)S[C@@H](C2=CC=CC=C2)C(=O)[O-])C

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