3-[2-(4-Methylphenyl)sulfanyl-5-nitrophenyl]prop-2-enoic acid

Base Information

• Chemical Name: 3-[2-(4-Methylphenyl)sulfanyl-5-nitrophenyl]prop-2-enoic acid
• CAS No.: 175278-45-2
• Molecular Formula: C16H13 N O4 S
• Molecular Weight: 315.34
• DSSTox Substance ID: DTXSID40384290
• Mol file: 175278-45-2.mol

Synonyms:3-[2-(4-methylphenyl)sulfanyl-5-nitrophenyl]prop-2-enoic acid;175278-45-2;3-{2-[(4-methylphenyl)thio]-5-nitrophenyl}acrylic acid;3-[2-[(4-METHYLPHENYL)THIO]-5-NITROPHENYL]ACRYLIC ACID;DTXSID40384290;FT-0614841;(Z)-3-(5-nitro-2-(p-tolylthio)phenyl)acrylic acid

Chemical Property of 3-[2-(4-Methylphenyl)sulfanyl-5-nitrophenyl]prop-2-enoic acid

Chemical Property:

• Vapor Pressure: 3.26E-11mmHg at 25°C
• Melting Point: 194 °C
• Boiling Point: 509.7°Cat760mmHg
• Flash Point: 262.1°C
• PSA: 108.42000
• Density: 1.38g/cm³
• LogP: 4.67540
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 315.05652907
• Heavy Atom Count: 22
• Complexity: 426

Purity/Quality:

98%min ^*data from raw suppliers

3-[2-[(4-METHYLPHENYL)THIO]-5-NITROPHENYL]ACRYLIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])C=CC(=O)O

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