Benzenecarbothioic acid, S-(4,5-dihydro-2-thiazolyl) ester
TL;DR: Benzenecarbothioic acid, S-(4,5-dihydro-2-thiazolyl) ester (CAS 67406-40-0) is a chemical compound with molecular formula C10H9NOS2 and molecular weight 223.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(4,5-dihydro-1,3-thiazol-2-yl) benzenecarbothioate
Also Known As: S-(4,5-dihydrothiazol-2-yl) benzothioate, 3-ethyl-2,6-diphenyltetrahydropyran-4-one, S-(4,5-dihydro-1,3-thiazol-2-yl) benzenecarbothioate, Benzenecarbothioic acid, S-(4,5-dihydro-2-thiazolyl) ester, 4,5-dihydro-1,3-thiazol-2-ylsulfanyl-phenyl-methanone
| Molecular Formula | C10H9NOS2 |
|---|---|
| Molecular Weight | 223.01 g/mol |
| LogP | 2.6628 |
| Topological Polar Surface Area | 29.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 223.01256 |
| Heavy Atoms | 14 |
| Complexity | 361.64456 |
Chemical Identifiers
| CAS Number | 67406-40-0 |
|---|---|
| SMILES | C1CSC(=N1)SC(=O)C2=CC=CC=C2 |
Product Overview
Benzenecarbothioic acid, S-(4,5-dihydro-2-thiazolyl) ester (CAS 67406-40-0), with molecular formula C10H9NOS2 and molecular weight 223.01 g/mol. IUPAC: S-(4,5-dihydro-1,3-thiazol-2-yl) benzenecarbothioate.
Chemical Property Profile of Benzenecarbothioic acid, S-(4,5-dihydro-2-thiazolyl) ester
Property Insights of Benzenecarbothioic acid, S-(4,5-dihydro-2-thiazolyl) ester
The XLogP value of 2.6628 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenecarbothioic acid, S-(4,5-dihydro-2-thiazolyl) ester. With a topological polar surface area (TPSA) of 29.43 Ų, Benzenecarbothioic acid, S-(4,5-dihydro-2-thiazolyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenecarbothioic acid, S-(4,5-dihydro-2-thiazolyl) ester has 0 hydrogen bond donor(s) and 4 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 Benzenecarbothioic acid, S-(4,5-dihydro-2-thiazolyl) ester?
The CAS number of Benzenecarbothioic acid, S-(4,5-dihydro-2-thiazolyl) ester is 67406-40-0.
What is the molecular formula of Benzenecarbothioic acid, S-(4,5-dihydro-2-thiazolyl) ester?
The molecular formula of Benzenecarbothioic acid, S-(4,5-dihydro-2-thiazolyl) ester is C10H9NOS2.
What is the molecular weight of Benzenecarbothioic acid, S-(4,5-dihydro-2-thiazolyl) ester?
The molecular weight of Benzenecarbothioic acid, S-(4,5-dihydro-2-thiazolyl) ester is 223.01 g/mol.
Where can I buy Benzenecarbothioic acid, S-(4,5-dihydro-2-thiazolyl) ester?
You can request a quote for Benzenecarbothioic acid, S-(4,5-dihydro-2-thiazolyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenecarbothioic acid, S-(4,5-dihydro-2-thiazolyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenecarbothioic acid, S-(4,5-dihydro-2-thiazolyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.