S-(5-Acetyl-4-methyl-2-thiazolyl) O-(phenylmethyl) carbonothioate
TL;DR: S-(5-Acetyl-4-methyl-2-thiazolyl) O-(phenylmethyl) carbonothioate (CAS 63148-79-8) is a chemical compound with molecular formula C14H13NO3S2 and molecular weight 307.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl (5-acetyl-4-methyl-1,3-thiazol-2-yl)sulfanylformate
Also Known As: S- O-benzylthiocarbonate, Carbonothioic acid, S-(5-acetyl-4-methyl-2-thiazolyl) O-(phenylmethyl) ester, benzyl (5-acetyl-4-methyl-1,3-thiazol-2-yl)sulfanylformate, s-(5-acetyl-4-methyl-1,3-thiazol-2-yl) o-benzyl carbonothioate, S-(5-Acetyl-4-methyl-2-thiazolyl) O-(phenylmethyl) carbonothioate
| Molecular Formula | C14H13NO3S2 |
|---|---|
| Molecular Weight | 307.03 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 307.0337 |
| Heavy Atoms | 20 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 63148-79-8 |
|---|---|
| SMILES | CC1=C(SC(=N1)SC(=O)OCC2=CC=CC=C2)C(=O)C |
| InChIKey | GSCHNMOIVICJQS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-(5-Acetyl-4-methyl-2-thiazolyl) O-(phenylmethyl) carbonothioate (CAS 63148-79-8), with molecular formula C14H13NO3S2 and molecular weight 307.03 g/mol. IUPAC: benzyl (5-acetyl-4-methyl-1,3-thiazol-2-yl)sulfanylformate.
Chemical Property Profile of S-(5-Acetyl-4-methyl-2-thiazolyl) O-(phenylmethyl) carbonothioate
Property Insights of S-(5-Acetyl-4-methyl-2-thiazolyl) O-(phenylmethyl) carbonothioate
The XLogP value of 3.9 indicates that S-(5-Acetyl-4-methyl-2-thiazolyl) O-(phenylmethyl) carbonothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(5-Acetyl-4-methyl-2-thiazolyl) O-(phenylmethyl) carbonothioate. Following Lipinski's Rule of Five, S-(5-Acetyl-4-methyl-2-thiazolyl) O-(phenylmethyl) carbonothioate has 0 hydrogen bond donor(s) and 6 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-(5-Acetyl-4-methyl-2-thiazolyl) O-(phenylmethyl) carbonothioate?
The CAS number of S-(5-Acetyl-4-methyl-2-thiazolyl) O-(phenylmethyl) carbonothioate is 63148-79-8.
What is the molecular formula of S-(5-Acetyl-4-methyl-2-thiazolyl) O-(phenylmethyl) carbonothioate?
The molecular formula of S-(5-Acetyl-4-methyl-2-thiazolyl) O-(phenylmethyl) carbonothioate is C14H13NO3S2.
What is the molecular weight of S-(5-Acetyl-4-methyl-2-thiazolyl) O-(phenylmethyl) carbonothioate?
The molecular weight of S-(5-Acetyl-4-methyl-2-thiazolyl) O-(phenylmethyl) carbonothioate is 307.03 g/mol.
Where can I buy S-(5-Acetyl-4-methyl-2-thiazolyl) O-(phenylmethyl) carbonothioate?
You can request a quote for S-(5-Acetyl-4-methyl-2-thiazolyl) O-(phenylmethyl) carbonothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(5-Acetyl-4-methyl-2-thiazolyl) O-(phenylmethyl) carbonothioate?
Yes, KEHONG BIO provides custom synthesis services for S-(5-Acetyl-4-methyl-2-thiazolyl) O-(phenylmethyl) carbonothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.