(2-Methyloxetan-2-yl)methanethiol

Base Information

• Chemical Name: (2-Methyloxetan-2-yl)methanethiol
• CAS No.: 63991-91-3
• Molecular Formula: C5H10 O S
• Molecular Weight: 118.1973
• DSSTox Substance ID: DTXSID20981847
• Mol file: 63991-91-3.mol

Synonyms:(2-methyloxetan-2-yl)methanethiol;Oxethane, 3-methyl-3-(mercaptomethyl)-;Propane, 1,3-epoxy-2-methyl-2-(mercaptomethyl)-;DTXSID20981847

Chemical Property of (2-Methyloxetan-2-yl)methanethiol

Chemical Property:

• Vapor Pressure: 3.17mmHg at 25°C
• Boiling Point: 159.9°Cat760mmHg
• PKA: 9.87±0.10(Predicted)
• Flash Point: 50.5°C
• PSA: 48.03000
• Density: 1.022g/cm³
• LogP: 0.95270
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 118.04523611
• Heavy Atom Count: 7
• Complexity: 74.5

Purity/Quality:

NLT 98% ^*data from raw suppliers

3-(Mercaptomethyl)-3-methyloxetane 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1(CCO1)CS