N-(2-methylphenyl)-2-(phenylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

Base Information

• Chemical Name: N-(2-methylphenyl)-2-(phenylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
• CAS No.: 6046-45-3
• Molecular Formula: C24H25N3OS2
• Molecular Weight: 435.6048
• DSSTox Substance ID: DTXSID30367411
• Wikidata: Q82153237

Synonyms:6046-45-3;CBMicro_042250;Oprea1_860306;DTXSID30367411;N-(2-methylphenyl)-2-(phenylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide;BIM-0042318.P001

Chemical Property of N-(2-methylphenyl)-2-(phenylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.332g/cm³
• XLogP3: 6.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 435.14390478
• Heavy Atom Count: 30
• Complexity: 595

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1NC(=O)C2=C(SC3=C2CCCCC3)NC(=S)NC4=CC=CC=C4

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