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Carbonothioic acid, O-[(4-methoxyphenyl)methyl] S-phenyl ester structure
Fine Chemical

Carbonothioic acid, O-[(4-methoxyphenyl)methyl] S-phenyl ester

TL;DR: Carbonothioic acid, O-[(4-methoxyphenyl)methyl] S-phenyl ester (CAS 62778-21-6) is a chemical compound with molecular formula C15H14O3S and molecular weight 274.06638 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

(4-methoxyphenyl)methyl phenylsulfanylformate

Also Known As: thiocarbonicacido-[methyl]s-phenylester, o-(4-methoxybenzyl) s-phenyl carbonothioate, (4-methoxyphenyl)methyl phenylsulfanylformate, ThiocarbonicacidO-[ methyl]S-phenylester, Carbonothioic acid, O-((4-methoxyphenyl)methyl) S-phenyl ester

CAS Number
62778-21-6
Molecular Formula
C15H14O3S
Molecular Weight
274.06638 g/mol
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Technical Specifications

Molecular FormulaC15H14O3S
Molecular Weight274.06638 g/mol
XLogP4.1
Topological Polar Surface Area (TPSA)60.8 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors4
Rotatable Bonds6
Exact Mass274.06638 Da
Heavy Atoms19
Complexity269.0
SMILESCOC1=CC=C(C=C1)COC(=O)SC2=CC=CC=C2
InChIKeyCMDFIEPFYJDNNW-UHFFFAOYSA-N

Chemical Property Profile of Carbonothioic acid, O-[(4-methoxyphenyl)methyl] S-phenyl ester

XLogP
4.1
TPSA (Topological Polar Surface Area)
60.8
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
4
Rotatable Bonds
6
Heavy Atoms
19
Complexity
269.0
Exact Mass
274.06638
Monoisotopic Mass
274.06638
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 Carbonothioic acid, O-[(4-methoxyphenyl)methyl] S-phenyl ester

The XLogP value of 4.1 indicates that Carbonothioic acid, O-[(4-methoxyphenyl)methyl] S-phenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbonothioic acid, O-[(4-methoxyphenyl)methyl] S-phenyl ester. Following Lipinski's Rule of Five, Carbonothioic acid, O-[(4-methoxyphenyl)methyl] S-phenyl ester has 0 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 Carbonothioic acid, O-[(4-methoxyphenyl)methyl] S-phenyl ester?

The CAS number of Carbonothioic acid, O-[(4-methoxyphenyl)methyl] S-phenyl ester is 62778-21-6.

What is the molecular formula of Carbonothioic acid, O-[(4-methoxyphenyl)methyl] S-phenyl ester?

The molecular formula of Carbonothioic acid, O-[(4-methoxyphenyl)methyl] S-phenyl ester is C15H14O3S.

What is the molecular weight of Carbonothioic acid, O-[(4-methoxyphenyl)methyl] S-phenyl ester?

The molecular weight of Carbonothioic acid, O-[(4-methoxyphenyl)methyl] S-phenyl ester is 274.06638 g/mol.

Where can I buy Carbonothioic acid, O-[(4-methoxyphenyl)methyl] S-phenyl ester?

You can request a quote for Carbonothioic acid, O-[(4-methoxyphenyl)methyl] S-phenyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for Carbonothioic acid, O-[(4-methoxyphenyl)methyl] S-phenyl ester?

Yes, CoreyChem provides custom synthesis services for Carbonothioic acid, O-[(4-methoxyphenyl)methyl] S-phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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