Carbonothioic acid, O-(1,1-dimethylethyl) S-(2-furanylmethyl) ester
TL;DR: Carbonothioic acid, O-(1,1-dimethylethyl) S-(2-furanylmethyl) ester (CAS 36754-08-2) is a chemical compound with molecular formula C10H14O3S and molecular weight 214.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl furan-2-ylmethylsulfanylformate
Also Known As: O-tert-Butyl S-(2-furanylmethyl) carbonothioate, tert-butyl furan-2-ylmethylsulfanylformate, CARBONOTHIOIC ACID, O-(1,1-DIMETHYLETHYL) S-(2-FURANYLMETHYL) ESTER, O-tert-Butyl S-[(furan-2-yl)methyl] carbonothioate, RefChem:333539
| Molecular Formula | C10H14O3S |
|---|---|
| Molecular Weight | 214.07 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 64.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 214.06636 |
| Heavy Atoms | 14 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 36754-08-2 |
|---|---|
| SMILES | CC(C)(C)OC(=O)SCC1=CC=CO1 |
| InChIKey | VHYJTAVLIUIBRT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Carbonothioic acid, O-(1,1-dimethylethyl) S-(2-furanylmethyl) ester (CAS 36754-08-2), with molecular formula C10H14O3S and molecular weight 214.07 g/mol. IUPAC: tert-butyl furan-2-ylmethylsulfanylformate.
Chemical Property Profile of Carbonothioic acid, O-(1,1-dimethylethyl) S-(2-furanylmethyl) ester
Property Insights of Carbonothioic acid, O-(1,1-dimethylethyl) S-(2-furanylmethyl) ester
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbonothioic acid, O-(1,1-dimethylethyl) S-(2-furanylmethyl) ester. The TPSA of 64.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbonothioic acid, O-(1,1-dimethylethyl) S-(2-furanylmethyl) ester. Following Lipinski's Rule of Five, Carbonothioic acid, O-(1,1-dimethylethyl) S-(2-furanylmethyl) 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 Carbonothioic acid, O-(1,1-dimethylethyl) S-(2-furanylmethyl) ester?
The CAS number of Carbonothioic acid, O-(1,1-dimethylethyl) S-(2-furanylmethyl) ester is 36754-08-2.
What is the molecular formula of Carbonothioic acid, O-(1,1-dimethylethyl) S-(2-furanylmethyl) ester?
The molecular formula of Carbonothioic acid, O-(1,1-dimethylethyl) S-(2-furanylmethyl) ester is C10H14O3S.
What is the molecular weight of Carbonothioic acid, O-(1,1-dimethylethyl) S-(2-furanylmethyl) ester?
The molecular weight of Carbonothioic acid, O-(1,1-dimethylethyl) S-(2-furanylmethyl) ester is 214.07 g/mol.
Where can I buy Carbonothioic acid, O-(1,1-dimethylethyl) S-(2-furanylmethyl) ester?
You can request a quote for Carbonothioic acid, O-(1,1-dimethylethyl) S-(2-furanylmethyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbonothioic acid, O-(1,1-dimethylethyl) S-(2-furanylmethyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Carbonothioic acid, O-(1,1-dimethylethyl) S-(2-furanylmethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.