Carbamodithioic acid, dibutyl-, 3-(2-furanyl)-3-oxo-1-phenyl-1-propenyl ester
TL;DR: Carbamodithioic acid, dibutyl-, 3-(2-furanyl)-3-oxo-1-phenyl-1-propenyl ester (CAS 106110-68-3) is a chemical compound with molecular formula C22H27NO2S2 and molecular weight 401.14832 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(E)-3-(furan-2-yl)-3-oxo-1-phenylprop-1-enyl] N,N-dibutylcarbamodithioate
Also Known As: Dibutylcarbamodithioic acid 3-(2-furanyl)-3-oxo-1-phenyl-1-propenyl ester, CARBAMODITHIOIC ACID, DIBUTYL-, 3-(2-FURANYL)-3-OXO-1-PHENYL-1-PROPENYL ESTER, [(E)-3-(furan-2-yl)-3-oxo-1-phenylprop-1-enyl] N,N-dibutylcarbamodithioate, BRN 5606965
Technical Specifications
| Molecular Formula | C22H27NO2S2 |
| Molecular Weight | 401.14832 g/mol |
| XLogP | 6.3 |
| Topological Polar Surface Area (TPSA) | 90.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 401.14832 Da |
| Heavy Atoms | 27 |
| Complexity | 493.0 |
| SMILES | CCCCN(CCCC)C(=S)S/C(=C/C(=O)C1=CC=CO1)/C2=CC=CC=C2 |
| InChIKey | URTJEOWMRMTMNQ-HEHNFIMWSA-N |
Chemical Property Profile of Carbamodithioic acid, dibutyl-, 3-(2-furanyl)-3-oxo-1-phenyl-1-propenyl ester
Property Insights of Carbamodithioic acid, dibutyl-, 3-(2-furanyl)-3-oxo-1-phenyl-1-propenyl ester
The XLogP value of 6.3 indicates that Carbamodithioic acid, dibutyl-, 3-(2-furanyl)-3-oxo-1-phenyl-1-propenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamodithioic acid, dibutyl-, 3-(2-furanyl)-3-oxo-1-phenyl-1-propenyl ester. Following Lipinski's Rule of Five, Carbamodithioic acid, dibutyl-, 3-(2-furanyl)-3-oxo-1-phenyl-1-propenyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Carbamodithioic acid, dibutyl-, 3-(2-furanyl)-3-oxo-1-phenyl-1-propenyl ester?
The CAS number of Carbamodithioic acid, dibutyl-, 3-(2-furanyl)-3-oxo-1-phenyl-1-propenyl ester is 106110-68-3.
What is the molecular formula of Carbamodithioic acid, dibutyl-, 3-(2-furanyl)-3-oxo-1-phenyl-1-propenyl ester?
The molecular formula of Carbamodithioic acid, dibutyl-, 3-(2-furanyl)-3-oxo-1-phenyl-1-propenyl ester is C22H27NO2S2.
What is the molecular weight of Carbamodithioic acid, dibutyl-, 3-(2-furanyl)-3-oxo-1-phenyl-1-propenyl ester?
The molecular weight of Carbamodithioic acid, dibutyl-, 3-(2-furanyl)-3-oxo-1-phenyl-1-propenyl ester is 401.14832 g/mol.
Where can I buy Carbamodithioic acid, dibutyl-, 3-(2-furanyl)-3-oxo-1-phenyl-1-propenyl ester?
You can request a quote for Carbamodithioic acid, dibutyl-, 3-(2-furanyl)-3-oxo-1-phenyl-1-propenyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Carbamodithioic acid, dibutyl-, 3-(2-furanyl)-3-oxo-1-phenyl-1-propenyl ester?
Yes, CoreyChem provides custom synthesis services for Carbamodithioic acid, dibutyl-, 3-(2-furanyl)-3-oxo-1-phenyl-1-propenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.