3-Isothiocyanatooxolan-2-one

Base Information

• Chemical Name: 3-Isothiocyanatooxolan-2-one
• CAS No.: 61315-63-7
• Molecular Formula: C5H5NO2S
• Molecular Weight: 143.16
• Hs Code.: 2932209090
• European Community (EC) Number: 671-078-7
• DSSTox Substance ID: DTXSID50976802
• Mol file: 61315-63-7.mol

Synonyms:3-isothiocyanatooxolan-2-one;61315-63-7;4-Hydroxy-3-isothiocyanatobutyric acid lactone;alpha-isothiocyanato-dl-gamma-butyrolactone;.alpha.-Isothiocyanato-.gamma.-butyrolactone;alpha-Isothiocyanato-gamma-butyrolactone;SCHEMBL4937026;DTXSID50976802;MSBPBCHCQJBHNC-UHFFFAOYSA-N;MFCD00060499;AKOS000212454;a-Isothiocyanato-DL-gamma-butyrolactone;3-Isothiocyanatodihydro-2(3H)-furanone;3-isothiocyanatodihydrofuran-2(3h)-one;2(3H)-Furanone,dihydro-3-isothiocyanato-;3-Isothiocyanatodihydro-2(3H)-furanone #;FT-0640745;A833158

Chemical Property of 3-Isothiocyanatooxolan-2-one

Chemical Property:

• Vapor Pressure: 3.27E-05mmHg at 25°C
• Refractive Index: 1.62
• Boiling Point: 354.8 °C at 760 mmHg
• Flash Point: 168.4 °C
• PSA: 70.75000
• Density: 1.41g/cm³
• LogP: 0.40470
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 143.00409958
• Heavy Atom Count: 9
• Complexity: 174

Purity/Quality:

98%Min ^*data from raw suppliers

4-hydroxy-3-isothiocyanatobutyricacidlactone ^*data from reagent suppliers

Safty Information:

• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COC(=O)C1N=C=S