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Phosphonic acid, [4-[(2-hydroxyphenyl)thio]-1-butenyl]- structure
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Phosphonic acid, [4-[(2-hydroxyphenyl)thio]-1-butenyl]-

TL;DR: Phosphonic acid, [4-[(2-hydroxyphenyl)thio]-1-butenyl]- (CAS 191411-86-6) is a chemical compound with molecular formula C10H13O4PS and molecular weight 260.02722 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

4-(2-hydroxyphenyl)sulfanylbut-1-enylphosphonic acid

Also Known As: Phosphonic acid, [4-[(2-hydroxyphenyl)thio]-1-butenyl]-, 4-(2-hydroxyphenyl)sulfanylbut-1-enylphosphonic acid, {4-[(2-hydroxyphenyl)sulfanyl]but-1-en-1-yl}phosphonic acid

CAS Number
191411-86-6
Molecular Formula
C10H13O4PS
Molecular Weight
260.02722 g/mol
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Application Areas

Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.

Agrochemicals (1 patents) Biotechnology (6 patents) Organometallic Reagents (2 patents) Peptides & Amino Acids (2 patents)

Technical Specifications

Molecular FormulaC10H13O4PS
Molecular Weight260.02722 g/mol
XLogP0.9
Topological Polar Surface Area (TPSA)103.0 Ų
Hydrogen Bond Donors3
Hydrogen Bond Acceptors5
Rotatable Bonds5
Exact Mass260.02722 Da
Heavy Atoms16
Complexity276.0
SMILESC1=CC=C(C(=C1)O)SCCC=CP(=O)(O)O
InChIKeyGHNIEXOPSISMGX-UHFFFAOYSA-N

Chemical Property Profile of Phosphonic acid, [4-[(2-hydroxyphenyl)thio]-1-butenyl]-

XLogP
0.9
TPSA (Topological Polar Surface Area)
103.0
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
5
Rotatable Bonds
5
Heavy Atoms
16
Complexity
276.0
Exact Mass
260.02722
Monoisotopic Mass
260.02722
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 Phosphonic acid, [4-[(2-hydroxyphenyl)thio]-1-butenyl]-

The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphonic acid, [4-[(2-hydroxyphenyl)thio]-1-butenyl]-. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphonic acid, [4-[(2-hydroxyphenyl)thio]-1-butenyl]-. Following Lipinski's Rule of Five, Phosphonic acid, [4-[(2-hydroxyphenyl)thio]-1-butenyl]- has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of Phosphonic acid, [4-[(2-hydroxyphenyl)thio]-1-butenyl]-?

The CAS number of Phosphonic acid, [4-[(2-hydroxyphenyl)thio]-1-butenyl]- is 191411-86-6.

What is the molecular formula of Phosphonic acid, [4-[(2-hydroxyphenyl)thio]-1-butenyl]-?

The molecular formula of Phosphonic acid, [4-[(2-hydroxyphenyl)thio]-1-butenyl]- is C10H13O4PS.

What is the molecular weight of Phosphonic acid, [4-[(2-hydroxyphenyl)thio]-1-butenyl]-?

The molecular weight of Phosphonic acid, [4-[(2-hydroxyphenyl)thio]-1-butenyl]- is 260.02722 g/mol.

Where can I buy Phosphonic acid, [4-[(2-hydroxyphenyl)thio]-1-butenyl]-?

You can request a quote for Phosphonic acid, [4-[(2-hydroxyphenyl)thio]-1-butenyl]- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for Phosphonic acid, [4-[(2-hydroxyphenyl)thio]-1-butenyl]-?

Yes, CoreyChem provides custom synthesis services for Phosphonic acid, [4-[(2-hydroxyphenyl)thio]-1-butenyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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