Phenyl 2,2-dimethyl-propane-thiosulfonate
TL;DR: Phenyl 2,2-dimethyl-propane-thiosulfonate (CAS 80319-01-3) is a chemical compound with molecular formula C11H16O2S2 and molecular weight 244.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethylpropylsulfonylsulfanylbenzene
Also Known As: S-phenyl 2,2-dimethylpropanethiosulfonate, Phenyl 2,2-dimethyl-propane-thiosulfonate, 2,2-dimethylpropylsulfonylsulfanylbenzene, S-Phenyl 2,2-dimethyl-1-propanesulfonothioate #
| Molecular Formula | C11H16O2S2 |
|---|---|
| Molecular Weight | 244.06 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 244.05917 |
| Heavy Atoms | 15 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 80319-01-3 |
|---|---|
| SMILES | CC(C)(C)CS(=O)(=O)SC1=CC=CC=C1 |
| InChIKey | AWVMFXMDINSULU-UHFFFAOYSA-N |
Product Overview
Phenyl 2,2-dimethyl-propane-thiosulfonate (CAS 80319-01-3), with molecular formula C11H16O2S2 and molecular weight 244.06 g/mol. IUPAC: 2,2-dimethylpropylsulfonylsulfanylbenzene.
Chemical Property Profile of Phenyl 2,2-dimethyl-propane-thiosulfonate
Property Insights of Phenyl 2,2-dimethyl-propane-thiosulfonate
The XLogP value of 3.3 indicates that Phenyl 2,2-dimethyl-propane-thiosulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenyl 2,2-dimethyl-propane-thiosulfonate. Following Lipinski's Rule of Five, Phenyl 2,2-dimethyl-propane-thiosulfonate has 0 hydrogen bond donor(s) and 3 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 Phenyl 2,2-dimethyl-propane-thiosulfonate?
The CAS number of Phenyl 2,2-dimethyl-propane-thiosulfonate is 80319-01-3.
What is the molecular formula of Phenyl 2,2-dimethyl-propane-thiosulfonate?
The molecular formula of Phenyl 2,2-dimethyl-propane-thiosulfonate is C11H16O2S2.
What is the molecular weight of Phenyl 2,2-dimethyl-propane-thiosulfonate?
The molecular weight of Phenyl 2,2-dimethyl-propane-thiosulfonate is 244.06 g/mol.
Where can I buy Phenyl 2,2-dimethyl-propane-thiosulfonate?
You can request a quote for Phenyl 2,2-dimethyl-propane-thiosulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl 2,2-dimethyl-propane-thiosulfonate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl 2,2-dimethyl-propane-thiosulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.