1H-Indole-6-carbothioamide

Base Information

• Chemical Name: 1H-Indole-6-carbothioamide
• CAS No.: 885272-19-5
• Molecular Formula: C9H8 N2 S
• Molecular Weight: 176.24
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID00693052
• Wikidata: Q82622075
• ChEMBL ID: CHEMBL4528244
• Mol file: 885272-19-5.mol

Synonyms:1H-Indole-6-carbothioamide;885272-19-5;1H-INDOLE-6-CARBOTHIOIC ACID AMIDE;1H-INDOLE-6-CARBOTHIOICACIDAMIDE;CHEMBL4528244;SCHEMBL19608350;DTXSID00693052;MFCD06738887;AKOS006294127;AB28112;CS-0306443;FT-0752193;D87562;EN300-1851663

Chemical Property of 1H-Indole-6-carbothioamide

Chemical Property:

• PSA: 73.90000
• LogP: 2.50240
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 176.04081944
• Heavy Atom Count: 12
• Complexity: 193

Purity/Quality:

97% ^*data from raw suppliers

1H-Indole-6-carbothioamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC2=C1C=CN2)C(=S)N