3-Isocyanato-2,3-dihydrothiophene 1,1-dioxide

Base Information

• Chemical Name: 3-Isocyanato-2,3-dihydrothiophene 1,1-dioxide
• CAS No.: 61308-98-3
• Molecular Formula: C5H5NO3S
• Molecular Weight: 159.16300
• DSSTox Substance ID: DTXSID20378192
• Mol file: 61308-98-3.mol

Synonyms:3-isocyanato-2,3-dihydrothiophene 1,1-dioxide;61308-98-3;SCHEMBL3049983;DTXSID20378192;STL454372;AKOS002663619;AKOS016043976;EN300-236349;3-Isocyanato-2,3-dihydro-thiophene 1,1-dioxide;3-isocyanato-2,3-dihydro-1|E?-thiophene-1,1-dione;3-isocyanato-2,3-dihydro-1lambda6-thiophene-1,1-dione;F1294-0050

Chemical Property of 3-Isocyanato-2,3-dihydrothiophene 1,1-dioxide

Chemical Property:

• PSA: 71.95000
• LogP: 0.71370
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 158.99901420
• Heavy Atom Count: 10
• Complexity: 291

Purity/Quality:

3-Isocyanato-2,3-dihydrothiophene 1,1-dioxide 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C=CS1(=O)=O)N=C=O

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