S-(hydroxymethyl) benzenecarbothioate
TL;DR: S-(hydroxymethyl) benzenecarbothioate (CAS 23959-48-0) is a chemical compound with molecular formula C8H8O2S and molecular weight 168.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(hydroxymethyl) benzenecarbothioate
Also Known As: S-Hydroxymethyl thiobenzoate, S-(hydroxymethyl) benzenecarbothioate, DL-Arabitol, S-(Hydroxymethyl) benzothioate, Benzoyl oxymethyl thiamine
| Molecular Formula | C8H8O2S |
|---|---|
| Molecular Weight | 168.02 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 168.0245 |
| Heavy Atoms | 11 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 23959-48-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)SCO |
| InChIKey | MNTZJQAAOYSCMM-UHFFFAOYSA-N |
Product Overview
S-(hydroxymethyl) benzenecarbothioate (CAS 23959-48-0), with molecular formula C8H8O2S and molecular weight 168.02 g/mol. IUPAC: S-(hydroxymethyl) benzenecarbothioate.
Chemical Property Profile of S-(hydroxymethyl) benzenecarbothioate
Property Insights of S-(hydroxymethyl) benzenecarbothioate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-(hydroxymethyl) benzenecarbothioate. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(hydroxymethyl) benzenecarbothioate. Following Lipinski's Rule of Five, S-(hydroxymethyl) benzenecarbothioate has 1 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 S-(hydroxymethyl) benzenecarbothioate?
The CAS number of S-(hydroxymethyl) benzenecarbothioate is 23959-48-0.
What is the molecular formula of S-(hydroxymethyl) benzenecarbothioate?
The molecular formula of S-(hydroxymethyl) benzenecarbothioate is C8H8O2S.
What is the molecular weight of S-(hydroxymethyl) benzenecarbothioate?
The molecular weight of S-(hydroxymethyl) benzenecarbothioate is 168.02 g/mol.
Where can I buy S-(hydroxymethyl) benzenecarbothioate?
You can request a quote for S-(hydroxymethyl) benzenecarbothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(hydroxymethyl) benzenecarbothioate?
Yes, KEHONG BIO provides custom synthesis services for S-(hydroxymethyl) benzenecarbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.