Benzenecarbothioic acid, 4-methyl-, S-(2,4-dinitrophenyl) ester

Base Information

• Chemical Name: Benzenecarbothioic acid, 4-methyl-, S-(2,4-dinitrophenyl) ester
• CAS No.: 35539-23-2
• Molecular Formula: C₁₄H₁₀N₂O₅S
• Molecular Weight: 318.31
• DSSTox Substance ID: DTXSID30479129
• Nikkaji Number: J2.178.843K
• Wikidata: Q82313037
• Mol file: 35539-23-2.mol

Synonyms:35539-23-2;Benzenecarbothioic acid, 4-methyl-, S-(2,4-dinitrophenyl) ester;DTXSID30479129

Chemical Property of Benzenecarbothioic acid, 4-methyl-, S-(2,4-dinitrophenyl) ester

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 318.03104260
• Heavy Atom Count: 22
• Complexity: 440

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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