methyl N-[(E)-pentan-2-ylideneamino]carbamodithioate

Base Information

• Chemical Name: methyl N-[(E)-pentan-2-ylideneamino]carbamodithioate
• CAS No.: 26152-29-4
• Molecular Formula: C7H14 N2 S2
• Molecular Weight: 190.3295
• NSC Number: 261576
• DSSTox Substance ID: DTXSID10425442
• ChEMBL ID: CHEMBL3039614
• Mol file: 26152-29-4.mol

Synonyms:NSC261576;26152-29-4;CHEMBL3039614;DTXSID10425442;NSC-261576

Chemical Property of methyl N-[(E)-pentan-2-ylideneamino]carbamodithioate

Chemical Property:

• Vapor Pressure: 0.00928mmHg at 25°C
• Boiling Point: 265.2°C at 760 mmHg
• Flash Point: 114.2°C
• Density: 1.08g/cm³
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 190.05984080
• Heavy Atom Count: 11
• Complexity: 155

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=NNC(=S)SC)C
• Isomeric SMILES: CCC/C(=N/NC(=S)SC)/C

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