1-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-heptylthiourea

Base Information

• Chemical Name: 1-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-heptylthiourea
• CAS No.: 6945-26-2
• Molecular Formula: C17H27N3O2S
• Molecular Weight: 337.4802
• NSC Number: 55448
• DSSTox Substance ID: DTXSID80429876

Synonyms:NSC55448;6945-26-2;DTXSID80429876;NSC-55448

Chemical Property of 1-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-heptylthiourea

Chemical Property:

• Vapor Pressure: 3.61E-08mmHg at 25°C
• Boiling Point: 446.6°Cat760mmHg
• Flash Point: 223.9°C
• Density: 1.08g/cm³
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 337.18239829
• Heavy Atom Count: 23
• Complexity: 353

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCNC(=S)NN=CC1=CC(=C(C=C1)OC)OC
• Isomeric SMILES: CCCCCCCNC(=S)N/N=C/C1=CC(=C(C=C1)OC)OC

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