2-Isothiocyanatothiophene

Base Information

• Chemical Name: 2-Isothiocyanatothiophene
• CAS No.: 61528-49-2
• Molecular Formula: C5H3NS2
• DSSTox Substance ID: DTXSID70493021

Synonyms:2-isothiocyanatothiophene;61528-49-2;thienyl isothiocyanate;2-isothiocyanato-thiophene;SCHEMBL5570720;DTXSID70493021;JUTZNFXHJFFMIR-UHFFFAOYSA-N

Chemical Property of 2-Isothiocyanatothiophene

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 140.97069145
• Heavy Atom Count: 8
• Complexity: 118

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CSC(=C1)N=C=S

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