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O,O,O-tris[5-methyl-2-(propan-2-yl)cyclohexyl] phosphorothioate structure
Fine Chemical

O,O,O-tris[5-methyl-2-(propan-2-yl)cyclohexyl] phosphorothioate

TL;DR: O,O,O-tris[5-methyl-2-(propan-2-yl)cyclohexyl] phosphorothioate (CAS 1005046-30-9) is a chemical compound with molecular formula C30H57O3PS and molecular weight 528.3766 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

tris[(5-methyl-2-propan-2-ylcyclohexyl)oxy]-sulfanylidene-λ5-phosphane

Also Known As: O,O,O-tris[5-methyl-2-(propan-2-yl)cyclohexyl] phosphorothioate, F0369-0007, O,O,O-tris(2-isopropyl-5-methylcyclohexyl) phosphorothioate, 3-(di-p-menthan-3-yloxyphosphorothioyloxy)-p-menthane, tris[(5-methyl-2-propan-2-ylcyclohexyl)oxy]-sulfanylidene-

CAS Number
1005046-30-9
Molecular Formula
C30H57O3PS
Molecular Weight
528.3766 g/mol
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Technical Specifications

Molecular FormulaC30H57O3PS
Molecular Weight528.3766 g/mol
XLogP11.7
Topological Polar Surface Area (TPSA)59.8 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors4
Rotatable Bonds9
Exact Mass528.3766 Da
Heavy Atoms35
Complexity605.0
SMILESCC1CCC(C(C1)OP(=S)(OC2CC(CCC2C(C)C)C)OC3CC(CCC3C(C)C)C)C(C)C
InChIKeyTWFZQYUQVTYADM-UHFFFAOYSA-N

Chemical Property Profile of O,O,O-tris[5-methyl-2-(propan-2-yl)cyclohexyl] phosphorothioate

XLogP
11.7
TPSA (Topological Polar Surface Area)
59.8
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
4
Rotatable Bonds
9
Heavy Atoms
35
Complexity
605.0
Exact Mass
528.3766
Monoisotopic Mass
528.3766
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of O,O,O-tris[5-methyl-2-(propan-2-yl)cyclohexyl] phosphorothioate

The XLogP value of 11.7 indicates that O,O,O-tris[5-methyl-2-(propan-2-yl)cyclohexyl] phosphorothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.8 Ų, O,O,O-tris[5-methyl-2-(propan-2-yl)cyclohexyl] phosphorothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O,O,O-tris[5-methyl-2-(propan-2-yl)cyclohexyl] phosphorothioate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of O,O,O-tris[5-methyl-2-(propan-2-yl)cyclohexyl] phosphorothioate?

The CAS number of O,O,O-tris[5-methyl-2-(propan-2-yl)cyclohexyl] phosphorothioate is 1005046-30-9.

What is the molecular formula of O,O,O-tris[5-methyl-2-(propan-2-yl)cyclohexyl] phosphorothioate?

The molecular formula of O,O,O-tris[5-methyl-2-(propan-2-yl)cyclohexyl] phosphorothioate is C30H57O3PS.

What is the molecular weight of O,O,O-tris[5-methyl-2-(propan-2-yl)cyclohexyl] phosphorothioate?

The molecular weight of O,O,O-tris[5-methyl-2-(propan-2-yl)cyclohexyl] phosphorothioate is 528.3766 g/mol.

Where can I buy O,O,O-tris[5-methyl-2-(propan-2-yl)cyclohexyl] phosphorothioate?

You can request a quote for O,O,O-tris[5-methyl-2-(propan-2-yl)cyclohexyl] phosphorothioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for O,O,O-tris[5-methyl-2-(propan-2-yl)cyclohexyl] phosphorothioate?

Yes, CoreyChem provides custom synthesis services for O,O,O-tris[5-methyl-2-(propan-2-yl)cyclohexyl] phosphorothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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