3-Isothiocyanatopropan-1-OL

Base Information

• Chemical Name: 3-Isothiocyanatopropan-1-OL
• CAS No.: 4404-46-0
• Molecular Formula: C4H7NOS
• DSSTox Substance ID: DTXSID60557424
• Nikkaji Number: J2.359.946E

Synonyms:3-ISOTHIOCYANATOPROPAN-1-OL;3-hydroxypropyl isothiocyanate;4404-46-0;3-Isothiocyanato-1-propanol;SCHEMBL18889093;DTXSID60557424;CHEBI:183103

Chemical Property of 3-Isothiocyanatopropan-1-OL

Chemical Property:

• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 117.02483502
• Heavy Atom Count: 7
• Complexity: 77.8

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CN=C=S)CO

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