1,3,2-Dioxaphosphorinane, 2-mercapto-5,5-dimethyl-, 2-sulfide

Base Information

• Chemical Name: 1,3,2-Dioxaphosphorinane, 2-mercapto-5,5-dimethyl-, 2-sulfide
• CAS No.: 697-45-0
• Molecular Formula: C5H11O2PS2
• Molecular Weight: 198.247
• DSSTox Substance ID: DTXSID10328888
• Nikkaji Number: J1.171.783G,J596.550K
• Wikidata: Q82091732
• Mol file: 697-45-0.mol

Synonyms:697-45-0;1,3,2-Dioxaphosphorinane, 2-mercapto-5,5-dimethyl-, 2-sulfide;5,5-dimethyl-2-sulfanyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane;SCHEMBL258157;DTXSID10328888;MFCD31720655;EN300-7502090;2-Mercapto-5,5-dimethyl-1,3,2-dioxaphosphinane 2-sulfide;2-Mercapto-5,5-dimethyl-1,3,2-dioxaphosphorinane-2-thione;5,5-Dimethyl-1,3,2-dioxaphosphorinane-2-thiol 2-sulfide;5,5-dimethyl-2-sulfanyl-1,3,2lambda5-dioxaphosphinane-2-thione

Chemical Property of 1,3,2-Dioxaphosphorinane, 2-mercapto-5,5-dimethyl-, 2-sulfide

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 197.99380893
• Heavy Atom Count: 10
• Complexity: 167

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CC1(COP(=S)(OC1)S)C