benzyl N-[(Z)-4-oxopentan-2-ylideneamino]carbamodithioate

Base Information

• Chemical Name: benzyl N-[(Z)-4-oxopentan-2-ylideneamino]carbamodithioate
• CAS No.: 90127-28-9
• Molecular Formula: C₁₃H₁₆N₂OS₂
• Molecular Weight: 280.415
• NSC Number: 243523
• DSSTox Substance ID: DTXSID70422932

Synonyms:NSC243523;90127-28-9;DTXSID70422932;NSC-243523

Chemical Property of benzyl N-[(Z)-4-oxopentan-2-ylideneamino]carbamodithioate

Chemical Property:

• Vapor Pressure: 5.63E-07mmHg at 25°C
• Boiling Point: 411.3°Cat760mmHg
• Flash Point: 202.6°C
• Density: 1.16g/cm³
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 280.07040549
• Heavy Atom Count: 18
• Complexity: 323

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=NNC(=S)SCC1=CC=CC=C1)CC(=O)C
• Isomeric SMILES: C/C(=N/NC(=S)SCC1=CC=CC=C1)/CC(=O)C

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