![s-Phenyl o-[(3,4,4-trimethyl-1,2-dioxetan-3-yl)methyl] carbonothioate structure](/static/products/1190/119020-36-9.webp)
s-Phenyl o-[(3,4,4-trimethyl-1,2-dioxetan-3-yl)methyl] carbonothioate
TL;DR: s-Phenyl o-[(3,4,4-trimethyl-1,2-dioxetan-3-yl)methyl] carbonothioate (CAS 119020-36-9) is a chemical compound with molecular formula C13H16O4S and molecular weight 268.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4,4-trimethyldioxetan-3-yl)methyl phenylsulfanylformate
Also Known As: s-phenyl o-[(3,4,4-trimethyl-1,2-dioxetan-3-yl)methyl] carbonothioate, (3,4,4-trimethyldioxetan-3-yl)methyl Phenylsulfanylformate, Carbonothioic acid, S-phenyl O-((3,4,4-trimethyl-1,2-dioxetan-3-yl)methyl) ester
| Molecular Formula | C13H16O4S |
|---|---|
| Molecular Weight | 268.08 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 70.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 268.07693 |
| Heavy Atoms | 18 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 119020-36-9 |
|---|---|
| SMILES | CC1(C(OO1)(C)COC(=O)SC2=CC=CC=C2)C |
| InChIKey | KLJFWCBHWJJEDJ-UHFFFAOYSA-N |
Product Overview
s-Phenyl o-[(3,4,4-trimethyl-1,2-dioxetan-3-yl)methyl] carbonothioate (CAS 119020-36-9), with molecular formula C13H16O4S and molecular weight 268.08 g/mol. IUPAC: (3,4,4-trimethyldioxetan-3-yl)methyl phenylsulfanylformate.
Chemical Property Profile of s-Phenyl o-[(3,4,4-trimethyl-1,2-dioxetan-3-yl)methyl] carbonothioate
Property Insights of s-Phenyl o-[(3,4,4-trimethyl-1,2-dioxetan-3-yl)methyl] carbonothioate
The XLogP value of 3.2 indicates that s-Phenyl o-[(3,4,4-trimethyl-1,2-dioxetan-3-yl)methyl] carbonothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for s-Phenyl o-[(3,4,4-trimethyl-1,2-dioxetan-3-yl)methyl] carbonothioate. Following Lipinski's Rule of Five, s-Phenyl o-[(3,4,4-trimethyl-1,2-dioxetan-3-yl)methyl] carbonothioate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of s-Phenyl o-[(3,4,4-trimethyl-1,2-dioxetan-3-yl)methyl] carbonothioate?
The CAS number of s-Phenyl o-[(3,4,4-trimethyl-1,2-dioxetan-3-yl)methyl] carbonothioate is 119020-36-9.
What is the molecular formula of s-Phenyl o-[(3,4,4-trimethyl-1,2-dioxetan-3-yl)methyl] carbonothioate?
The molecular formula of s-Phenyl o-[(3,4,4-trimethyl-1,2-dioxetan-3-yl)methyl] carbonothioate is C13H16O4S.
What is the molecular weight of s-Phenyl o-[(3,4,4-trimethyl-1,2-dioxetan-3-yl)methyl] carbonothioate?
The molecular weight of s-Phenyl o-[(3,4,4-trimethyl-1,2-dioxetan-3-yl)methyl] carbonothioate is 268.08 g/mol.
Where can I buy s-Phenyl o-[(3,4,4-trimethyl-1,2-dioxetan-3-yl)methyl] carbonothioate?
You can request a quote for s-Phenyl o-[(3,4,4-trimethyl-1,2-dioxetan-3-yl)methyl] carbonothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for s-Phenyl o-[(3,4,4-trimethyl-1,2-dioxetan-3-yl)methyl] carbonothioate?
Yes, KEHONG BIO provides custom synthesis services for s-Phenyl o-[(3,4,4-trimethyl-1,2-dioxetan-3-yl)methyl] carbonothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.