3-(Methylthio)-4-oxo-4,5,6,7-tetrahydro-2-benzothiophene-1-carbothioamide

Base Information

• Chemical Name: 3-(Methylthio)-4-oxo-4,5,6,7-tetrahydro-2-benzothiophene-1-carbothioamide
• CAS No.: 499771-14-1
• Molecular Formula: C10H11NOS3
• Molecular Weight: 257.4
• DSSTox Substance ID: DTXSID90384861
• Wikidata: Q82177259
• Mol file: 499771-14-1.mol

Synonyms:499771-14-1;3-(methylthio)-4-oxo-4,5,6,7-tetrahydro-2-benzothiophene-1-carbothioamide;3-methylsulfanyl-4-oxo-6,7-dihydro-5H-2-benzothiophene-1-carbothioamide;3-(Methylthio)-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carbothioamide;Maybridge1_004799;Oprea1_500293;HMS555C03;DTXSID90384861;FT-0613810;J-510903;3-(methylsulfanyl)-4-oxo-4,5,6,7-tetrahydro-2-benzothiophene-1-carbothioamide;3-(METHYLTHIO)-4-OXO-4,5,6,7-TETRAHYDRO-2-benzo[b]thiophene-1-CARBOTHIOAMIDE

Chemical Property of 3-(Methylthio)-4-oxo-4,5,6,7-tetrahydro-2-benzothiophene-1-carbothioamide

Chemical Property:

• Vapor Pressure: 4.38E-09mmHg at 25°C
• Melting Point: 232 °C
• Refractive Index: 1.705
• Boiling Point: 472.1°Cat760mmHg
• Flash Point: 239.3°C
• PSA: 128.72000
• Density: 1.44g/cm³
• LogP: 3.32350
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 257.00027750
• Heavy Atom Count: 15
• Complexity: 294

Purity/Quality:

98%min ^*data from raw suppliers

3-(METHYLTHIO)-4-OXO-4,5,6,7-TETRAHYDRO-2-BENZOTHIOPHENE-1-CARBOTHIOAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=C2C(=C(S1)C(=S)N)CCCC2=O