2,2,4,6,6-Pentamethylheptane-4-thiol

Base Information

• Chemical Name: 2,2,4,6,6-Pentamethylheptane-4-thiol
• CAS No.: 93002-38-1
• Molecular Formula: C12H26S
• Molecular Weight: 202.39984
• Hs Code.: 2930909090
• European Community (EC) Number: 296-714-7
• DSSTox Substance ID: DTXSID90239241
• Wikidata: Q83121576
• Mol file: 93002-38-1.mol

Synonyms:2,2,4,6,6-Pentamethylheptane-4-thiol;93002-38-1;EINECS 296-714-7;SCHEMBL307674;DTXSID90239241;CXUHLUIXDGOURI-UHFFFAOYSA-N;MFCD00043233;2,2,4,6,6-Pentamethyl-4-heptanethiol

Chemical Property of 2,2,4,6,6-Pentamethylheptane-4-thiol

Chemical Property:

• Vapor Pressure: 0.182mmHg at 25°C
• Refractive Index: 1.455
• Boiling Point: 218.8 °C at 760 mmHg
• PKA: 11.34±0.10(Predicted)
• Flash Point: 72.5 °C
• PSA: 38.80000
• Density: 0.84 g/cm³
• LogP: 4.54730
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 202.17552200
• Heavy Atom Count: 13
• Complexity: 141

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)CC(C)(CC(C)(C)C)S