Carbamothioic acid, (4-chloro-3-((2-methyl-2-propenyl)oxy)phenyl)-, O-(1-methylethyl) ester

Base Information

• Chemical Name: Carbamothioic acid, (4-chloro-3-((2-methyl-2-propenyl)oxy)phenyl)-, O-(1-methylethyl) ester
• CAS No.: 165550-00-5
• Molecular Formula: C14H18 Cl N O2 S
• Molecular Weight: 299.8162
• NSC Number: 650059
• DSSTox Substance ID: DTXSID80167983
• ChEMBL ID: CHEMBL99620
• Mol file: 165550-00-5.mol

Synonyms:165550-00-5;Carbamothioic acid, (4-chloro-3-((2-methyl-2-propenyl)oxy)phenyl)-, O-(1-methylethyl) ester;Carbamothioic acid, [4-chloro-3-[(2-methyl-2-propenyl)oxy]phenyl]-, O-(1-methylethyl) ester;CHEMBL99620;DTXSID80167983;Carbamothioic acid, 1-methylethyl ester;NCI60_017494;O-isopropyl N-[4-chloro-3-(2-methylallyloxy)phenyl]carbamothioate

Chemical Property of Carbamothioic acid, (4-chloro-3-((2-methyl-2-propenyl)oxy)phenyl)-, O-(1-methylethyl) ester

Chemical Property:

• Vapor Pressure: 8.88E-06mmHg at 25°C
• Boiling Point: 373.6°C at 760 mmHg
• Flash Point: 179.7°C
• PSA: 69.62000
• Density: 1.196g/cm³
• LogP: 4.63720
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 299.0746777
• Heavy Atom Count: 19
• Complexity: 323

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OC(=S)NC1=CC(=C(C=C1)Cl)OCC(=C)C

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