5-[(Methylsulfanyl)methyl]-1,3,4-thiadiazole-2(3H)-thione

Base Information

• Chemical Name: 5-[(Methylsulfanyl)methyl]-1,3,4-thiadiazole-2(3H)-thione
• CAS No.: 89723-66-0
• Molecular Formula: C4H6N2S3
• Molecular Weight: 178.29900
• DSSTox Substance ID: DTXSID30531312
• Wikidata: Q82403077

Synonyms:89723-66-0;SCHEMBL10402271;DTXSID30531312;5-[(Methylsulfanyl)methyl]-1,3,4-thiadiazole-2(3H)-thione

Chemical Property of 5-[(Methylsulfanyl)methyl]-1,3,4-thiadiazole-2(3H)-thione

Chemical Property:

• Boiling Point: 254.1±42.0 °C(Predicted)
• PSA: 118.12000
• Density: 1.55±0.1 g/cm3(Predicted)
• LogP: 1.68980
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 177.96931172
• Heavy Atom Count: 9
• Complexity: 154

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSCC1=NNC(=S)S1

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