Benzenemethanesulfonothioic acid, S-(phenylmethyl) ester
TL;DR: Benzenemethanesulfonothioic acid, S-(phenylmethyl) ester (CAS 16675-65-3) is a chemical compound with molecular formula C14H14O2S2 and molecular weight 278.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzylsulfonylsulfanylmethylbenzene
Also Known As: S-Benzyl phenylmethanesulfonothioate, S-Benzyl phenylmethanethiosulfonate, benzylsulfonylsulfanylmethylbenzene, Benzenemethanesulfonothioic acid, S-(phenylmethyl) ester, S-Benzyl phenylmethanesulfonothioate #
| Molecular Formula | C14H14O2S2 |
|---|---|
| Molecular Weight | 278.04 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 278.04352 |
| Heavy Atoms | 18 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 16675-65-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSS(=O)(=O)CC2=CC=CC=C2 |
| InChIKey | LAVBKIWRWNKSGD-UHFFFAOYSA-N |
Product Overview
Benzenemethanesulfonothioic acid, S-(phenylmethyl) ester (CAS 16675-65-3), with molecular formula C14H14O2S2 and molecular weight 278.04 g/mol. IUPAC: benzylsulfonylsulfanylmethylbenzene.
Chemical Property Profile of Benzenemethanesulfonothioic acid, S-(phenylmethyl) ester
Property Insights of Benzenemethanesulfonothioic acid, S-(phenylmethyl) ester
The XLogP value of 3.0 indicates that Benzenemethanesulfonothioic acid, S-(phenylmethyl) ester 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 Benzenemethanesulfonothioic acid, S-(phenylmethyl) ester. Following Lipinski's Rule of Five, Benzenemethanesulfonothioic acid, S-(phenylmethyl) ester 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 Benzenemethanesulfonothioic acid, S-(phenylmethyl) ester?
The CAS number of Benzenemethanesulfonothioic acid, S-(phenylmethyl) ester is 16675-65-3.
What is the molecular formula of Benzenemethanesulfonothioic acid, S-(phenylmethyl) ester?
The molecular formula of Benzenemethanesulfonothioic acid, S-(phenylmethyl) ester is C14H14O2S2.
What is the molecular weight of Benzenemethanesulfonothioic acid, S-(phenylmethyl) ester?
The molecular weight of Benzenemethanesulfonothioic acid, S-(phenylmethyl) ester is 278.04 g/mol.
Where can I buy Benzenemethanesulfonothioic acid, S-(phenylmethyl) ester?
You can request a quote for Benzenemethanesulfonothioic acid, S-(phenylmethyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenemethanesulfonothioic acid, S-(phenylmethyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenemethanesulfonothioic acid, S-(phenylmethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.