(3E)-1-carbamothioyl-3-[(E)-4-thiophen-2-ylbut-3-en-2-ylidene]thiourea

Base Information

• Chemical Name: (3E)-1-carbamothioyl-3-[(E)-4-thiophen-2-ylbut-3-en-2-ylidene]thiourea
• CAS No.: 6622-81-7
• Molecular Formula: C10H11 N3 S3
• Molecular Weight: 269.41
• NSC Number: 55284
• DSSTox Substance ID: DTXSID90430110
• Mol file: 6622-81-7.mol

Synonyms:NSC55284;6622-81-7;DTXSID90430110;NSC-55284

Chemical Property of (3E)-1-carbamothioyl-3-[(E)-4-thiophen-2-ylbut-3-en-2-ylidene]thiourea

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 426.767°C at 760 mmHg
• Flash Point: 211.901°C
• PSA: 142.83000
• Density: 1.332g/cm³
• LogP: 3.43150
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 269.01151088
• Heavy Atom Count: 16
• Complexity: 336

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=NC(=S)NC(=S)N)C=CC1=CC=CS1
• Isomeric SMILES: C/C(=N\C(=S)NC(=S)N)/C=C/C1=CC=CS1

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