1,3,4-Thiadiazolo(3',2':1,2)pyrimido(5,4-b)indol-5(6H)-one, 2-(methylthio)-

Base Information

• Chemical Name: 1,3,4-Thiadiazolo(3',2':1,2)pyrimido(5,4-b)indol-5(6H)-one, 2-(methylthio)-
• CAS No.: 116989-22-1
• Molecular Formula: C12H8 N4 O S2
• Molecular Weight: 288.3481
• DSSTox Substance ID: DTXSID10151618
• Wikidata: Q83018099
• Mol file: 116989-22-1.mol

Synonyms:1,3,4-Thiadiazolo(3',2':1,2)pyrimido(5,4-b)indol-5(6H)-one, 2-(methylthio)-;2-(Methylthio)-1,3,4-thiadiazolo(3',2':1,2)pyrimido(5,4-b)indol-5(6H)-one;116989-22-1;C12H8N4OS2;DTXSID10151618;C12-H8-N4-O-S2;LS-150360

Chemical Property of 1,3,4-Thiadiazolo(3',2':1,2)pyrimido(5,4-b)indol-5(6H)-one, 2-(methylthio)-

Chemical Property:

• Boiling Point: 550.5°Cat760mmHg
• Flash Point: 286.8°C
• PSA: 116.59000
• Density: 1.77g/cm³
• LogP: 2.50740
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 288.01395324
• Heavy Atom Count: 19
• Complexity: 492

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=NN2C(=O)C3=C(C4=CC=CC=C4N3)N=C2S1

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