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[S(R*,R*)]-2-amino-1-[p-(methylthio)phenyl]propane-1,3-diol structure
Fine Chemical

[S(R*,R*)]-2-amino-1-[p-(methylthio)phenyl]propane-1,3-diol

TL;DR: [S(R*,R*)]-2-amino-1-[p-(methylthio)phenyl]propane-1,3-diol (CAS 16854-32-3) is a chemical compound with molecular formula C10H15NO2S and molecular weight 213.08235 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

2-amino-1-(4-methylsulfanylphenyl)propane-1,3-diol

Also Known As: Trifluoromethylperoxy, L-THIOMICAMINE, Methyldioxy, trifluoro-, (1S,2S)-(+)-Thiomicamine, KST-1B0954

CAS Number
16854-32-3
Molecular Formula
C10H15NO2S
Molecular Weight
213.08235 g/mol
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Application Areas

Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.

Biotechnology (9 patents) Construction Chemicals (1 patents) Heterocyclic Building Blocks (24 patents) Organic Building Blocks (35 patents) Pharmaceutical Intermediates (2 patents)

Technical Specifications

Molecular FormulaC10H15NO2S
Molecular Weight213.08235 g/mol
XLogP0.0
Topological Polar Surface Area (TPSA)91.8 Ų
Hydrogen Bond Donors3
Hydrogen Bond Acceptors4
Rotatable Bonds4
Exact Mass213.08235 Da
Heavy Atoms14
Complexity160.0
SMILESCSC1=CC=C(C=C1)C(C(CO)N)O
InChIKeyIULJJGJXIGQINK-UHFFFAOYSA-N

Chemical Property Profile of [S(R*,R*)]-2-amino-1-[p-(methylthio)phenyl]propane-1,3-diol

XLogP
0.0
TPSA (Topological Polar Surface Area)
91.8
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
4
Rotatable Bonds
4
Heavy Atoms
14
Complexity
160.0
Exact Mass
213.08235
Monoisotopic Mass
213.08235
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 [S(R*,R*)]-2-amino-1-[p-(methylthio)phenyl]propane-1,3-diol

The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [S(R*,R*)]-2-amino-1-[p-(methylthio)phenyl]propane-1,3-diol. The TPSA of 91.8 Ų falls within the moderate polarity range, balancing permeability and solubility for [S(R*,R*)]-2-amino-1-[p-(methylthio)phenyl]propane-1,3-diol. Following Lipinski's Rule of Five, [S(R*,R*)]-2-amino-1-[p-(methylthio)phenyl]propane-1,3-diol has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of [S(R*,R*)]-2-amino-1-[p-(methylthio)phenyl]propane-1,3-diol?

The CAS number of [S(R*,R*)]-2-amino-1-[p-(methylthio)phenyl]propane-1,3-diol is 16854-32-3.

What is the molecular formula of [S(R*,R*)]-2-amino-1-[p-(methylthio)phenyl]propane-1,3-diol?

The molecular formula of [S(R*,R*)]-2-amino-1-[p-(methylthio)phenyl]propane-1,3-diol is C10H15NO2S.

What is the molecular weight of [S(R*,R*)]-2-amino-1-[p-(methylthio)phenyl]propane-1,3-diol?

The molecular weight of [S(R*,R*)]-2-amino-1-[p-(methylthio)phenyl]propane-1,3-diol is 213.08235 g/mol.

Where can I buy [S(R*,R*)]-2-amino-1-[p-(methylthio)phenyl]propane-1,3-diol?

You can request a quote for [S(R*,R*)]-2-amino-1-[p-(methylthio)phenyl]propane-1,3-diol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for [S(R*,R*)]-2-amino-1-[p-(methylthio)phenyl]propane-1,3-diol?

Yes, CoreyChem provides custom synthesis services for [S(R*,R*)]-2-amino-1-[p-(methylthio)phenyl]propane-1,3-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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