S-pyridin-2-yl 4-tert-butylbenzenecarbothioate
TL;DR: S-pyridin-2-yl 4-tert-butylbenzenecarbothioate (CAS 307930-88-7) is a chemical compound with molecular formula C16H17NOS and molecular weight 271.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-pyridin-2-yl 4-tert-butylbenzenecarbothioate
Also Known As: S-pyridin-2-yl 4-tert-butylbenzenecarbothioate, S-(2-pyridinyl) 4-tert-butylbenzenecarbothioate, AI-204/31710063
| Molecular Formula | C16H17NOS |
|---|---|
| Molecular Weight | 271.10 g/mol |
| LogP | 4.3116 |
| Topological Polar Surface Area | 29.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.1031 |
| Heavy Atoms | 19 |
| Complexity | 555.55286 |
Chemical Identifiers
| CAS Number | 307930-88-7 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)SC2=CC=CC=N2 |
Product Overview
S-pyridin-2-yl 4-tert-butylbenzenecarbothioate (CAS 307930-88-7), with molecular formula C16H17NOS and molecular weight 271.10 g/mol. IUPAC: S-pyridin-2-yl 4-tert-butylbenzenecarbothioate.
Chemical Property Profile of S-pyridin-2-yl 4-tert-butylbenzenecarbothioate
Property Insights of S-pyridin-2-yl 4-tert-butylbenzenecarbothioate
The XLogP value of 4.3116 indicates that S-pyridin-2-yl 4-tert-butylbenzenecarbothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.96 Ų, S-pyridin-2-yl 4-tert-butylbenzenecarbothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-pyridin-2-yl 4-tert-butylbenzenecarbothioate 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 S-pyridin-2-yl 4-tert-butylbenzenecarbothioate?
The CAS number of S-pyridin-2-yl 4-tert-butylbenzenecarbothioate is 307930-88-7.
What is the molecular formula of S-pyridin-2-yl 4-tert-butylbenzenecarbothioate?
The molecular formula of S-pyridin-2-yl 4-tert-butylbenzenecarbothioate is C16H17NOS.
What is the molecular weight of S-pyridin-2-yl 4-tert-butylbenzenecarbothioate?
The molecular weight of S-pyridin-2-yl 4-tert-butylbenzenecarbothioate is 271.10 g/mol.
Where can I buy S-pyridin-2-yl 4-tert-butylbenzenecarbothioate?
You can request a quote for S-pyridin-2-yl 4-tert-butylbenzenecarbothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-pyridin-2-yl 4-tert-butylbenzenecarbothioate?
Yes, KEHONG BIO provides custom synthesis services for S-pyridin-2-yl 4-tert-butylbenzenecarbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.