3-(1h-Pyrrol-1-yl)benzene-1-carbothioamide

Base Information

• Chemical Name: 3-(1h-Pyrrol-1-yl)benzene-1-carbothioamide
• CAS No.: 175276-79-6
• Molecular Formula: C11H10 N2 S
• Molecular Weight: 202.28
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID90384043
• Wikidata: Q82175940
• ChEMBL ID: CHEMBL4530216
• Mol file: 175276-79-6.mol

Synonyms:175276-79-6;3-(1h-pyrrol-1-yl)benzene-1-carbothioamide;3-pyrrol-1-ylbenzenecarbothioamide;3-(1H-Pyrrol-1-yl)benzothioamide;3-(1H-Pyrrol-1-yl)benzenecarbothioamide;3-(Pyrrol-1-yl)thiobenzamide;CHEMBL4530216;SCHEMBL19608637;DTXSID90384043;CCG-54643;MFCD00052522;AKOS015908944;CS-10337;CS-0359418;FT-0613497;SR-01000643732-1;BRD-K04694543-001-01-3;3-(1H-Pyrrol-1-yl)benzene-1-carbothioamide, AldrichCPR

Chemical Property of 3-(1h-Pyrrol-1-yl)benzene-1-carbothioamide

Chemical Property:

• Vapor Pressure: 7.33E-06mmHg at 25°C
• Melting Point: 110 °C
• Boiling Point: 376.3°C at 760 mmHg
• Flash Point: 181.4°C
• PSA: 63.04000
• Density: 1.19g/cm³
• LogP: 2.81180
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 202.05646950
• Heavy Atom Count: 14
• Complexity: 211

Purity/Quality:

98% ^*data from raw suppliers

3-(1H-Pyrrol-1-yl)benzenecarbothioamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
• Hazard Codes: Xi
• Statements: 37/38-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN(C=C1)C2=CC=CC(=C2)C(=S)N