3-Carbethoxy-benzopyran-2-thione
TL;DR: 3-Carbethoxy-benzopyran-2-thione (CAS 132220-05-4) is a chemical compound with molecular formula C12H10O3S and molecular weight 234.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-sulfanylidenechromene-3-carboxylate
Also Known As: 3-carbethoxy-benzopyran-2-thione, ethyl 2-sulfanylidenechromene-3-carboxylate, 2H-1-Benzopyran-3-carboxylic acid, 2-thioxo-, ethyl ester (en)
| Molecular Formula | C12H10O3S |
|---|---|
| Molecular Weight | 234.04 g/mol |
| LogP | 3.33899 |
| Topological Polar Surface Area | 39.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 234.03506 |
| Heavy Atoms | 16 |
| Complexity | 586.07874 |
Chemical Identifiers
| CAS Number | 132220-05-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=CC=CC=C2OC1=S |
Product Overview
3-Carbethoxy-benzopyran-2-thione (CAS 132220-05-4), with molecular formula C12H10O3S and molecular weight 234.04 g/mol. IUPAC: ethyl 2-sulfanylidenechromene-3-carboxylate.
Chemical Property Profile of 3-Carbethoxy-benzopyran-2-thione
Property Insights of 3-Carbethoxy-benzopyran-2-thione
The XLogP value of 3.33899 indicates that 3-Carbethoxy-benzopyran-2-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.44 Ų, 3-Carbethoxy-benzopyran-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Carbethoxy-benzopyran-2-thione 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 3-Carbethoxy-benzopyran-2-thione?
The CAS number of 3-Carbethoxy-benzopyran-2-thione is 132220-05-4.
What is the molecular formula of 3-Carbethoxy-benzopyran-2-thione?
The molecular formula of 3-Carbethoxy-benzopyran-2-thione is C12H10O3S.
What is the molecular weight of 3-Carbethoxy-benzopyran-2-thione?
The molecular weight of 3-Carbethoxy-benzopyran-2-thione is 234.04 g/mol.
Where can I buy 3-Carbethoxy-benzopyran-2-thione?
You can request a quote for 3-Carbethoxy-benzopyran-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Carbethoxy-benzopyran-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-Carbethoxy-benzopyran-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.