S-(2,5-Dimethyl-3-furanyl) 2-furancarbothioate
TL;DR: S-(2,5-Dimethyl-3-furanyl) 2-furancarbothioate (CAS 55764-31-3) is a chemical compound with molecular formula C11H10O3S and molecular weight 222.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(2,5-dimethylfuran-3-yl) furan-2-carbothioate
Also Known As: 2,5-Dimethyl-3-thiofuroylfuran, S-(2,5-Dimethyl-3-furanyl) 2-furancarbothioate, 3-(2-Furoylthio)-2,5-dimethylfuran, 3(2-furoylthio)-2,5-dimethylfuran, S-(2,5-Dimethyl-3-furyl) thio-2-furoate
| Molecular Formula | C11H10O3S |
|---|---|
| Molecular Weight | 222.04 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 68.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.03506 |
| Heavy Atoms | 15 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 55764-31-3 |
|---|---|
| SMILES | CC1=CC(=C(O1)C)SC(=O)C2=CC=CO2 |
| InChIKey | IHJDHYVSIRCWIT-UHFFFAOYSA-N |
Product Overview
S-(2,5-Dimethyl-3-furanyl) 2-furancarbothioate (CAS 55764-31-3), with molecular formula C11H10O3S and molecular weight 222.04 g/mol. IUPAC: S-(2,5-dimethylfuran-3-yl) furan-2-carbothioate.
Chemical Property Profile of S-(2,5-Dimethyl-3-furanyl) 2-furancarbothioate
Property Insights of S-(2,5-Dimethyl-3-furanyl) 2-furancarbothioate
The XLogP value of 3.1 indicates that S-(2,5-Dimethyl-3-furanyl) 2-furancarbothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.7 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(2,5-Dimethyl-3-furanyl) 2-furancarbothioate. Following Lipinski's Rule of Five, S-(2,5-Dimethyl-3-furanyl) 2-furancarbothioate 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 S-(2,5-Dimethyl-3-furanyl) 2-furancarbothioate?
The CAS number of S-(2,5-Dimethyl-3-furanyl) 2-furancarbothioate is 55764-31-3.
What is the molecular formula of S-(2,5-Dimethyl-3-furanyl) 2-furancarbothioate?
The molecular formula of S-(2,5-Dimethyl-3-furanyl) 2-furancarbothioate is C11H10O3S.
What is the molecular weight of S-(2,5-Dimethyl-3-furanyl) 2-furancarbothioate?
The molecular weight of S-(2,5-Dimethyl-3-furanyl) 2-furancarbothioate is 222.04 g/mol.
Where can I buy S-(2,5-Dimethyl-3-furanyl) 2-furancarbothioate?
You can request a quote for S-(2,5-Dimethyl-3-furanyl) 2-furancarbothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(2,5-Dimethyl-3-furanyl) 2-furancarbothioate?
Yes, KEHONG BIO provides custom synthesis services for S-(2,5-Dimethyl-3-furanyl) 2-furancarbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.