myo-Inositol 1,4-bisphosphothioate

Base Information

• Chemical Name: myo-Inositol 1,4-bisphosphothioate
• CAS No.: 118628-30-1
• Molecular Formula: C6H14O10P2S2
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID90922742
• Mol file: 118628-30-1.mol

Synonyms:I-1,4-BPS;inositol 1,4-bisphosphorothioate;myo-inositol 1,4-bisphosphothioate

Chemical Property of myo-Inositol 1,4-bisphosphothioate

Chemical Property:

• Vapor Pressure: 5.64E-23mmHg at 25°C
• Boiling Point: 705°C at 760 mmHg
• Flash Point: 380.2°C
• PSA: 264.10000
• Density: 2.14g/cm³
• LogP: -2.06660
• XLogP3: -2.4
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 4
• Exact Mass: 371.95036298
• Heavy Atom Count: 20
• Complexity: 380

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1(C(C(C(C(C1OP(=S)(O)O)O)O)OP(=S)(O)O)O)O
• Isomeric SMILES: [C@H]1([C@@H](C([C@H]([C@@H](C1OP(=S)(O)O)O)O)OP(=S)(O)O)O)O