2-Isocyanato-1-benzothiophene

Base Information

• Chemical Name: 2-Isocyanato-1-benzothiophene
• CAS No.: 124808-79-3
• Molecular Formula: C₉H₅NOS
• Molecular Weight: 175.211
• DSSTox Substance ID: DTXSID00576457
• Nikkaji Number: J465.652K
• Mol file: 124808-79-3.mol

Synonyms:2-isocyanato-1-benzothiophene;124808-79-3;Benzo[b]thiophene, 2-isocyanato-;C9H5NOS;SCHEMBL4912489;DTXSID00576457;AKOS010666809;EN300-127846

Chemical Property of 2-Isocyanato-1-benzothiophene

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 175.00918496
• Heavy Atom Count: 12
• Complexity: 213

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=C(S2)N=C=O

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