Benzenecarbothioic acid, 4-(2-methylbutoxy)-, S-(4-cyanophenyl) ester
TL;DR: Benzenecarbothioic acid, 4-(2-methylbutoxy)-, S-(4-cyanophenyl) ester (CAS 64240-66-0) is a chemical compound with molecular formula C19H19NO2S and molecular weight 325.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(4-cyanophenyl) 4-(2-methylbutoxy)benzenecarbothioate
Also Known As: S-(4-Cyanophenyl) 4-(2-methylbutoxy)thiobenzoate, (S)-(4-Cyanophenyl) 4-(2-methylbutoxy)thiobenzoate, Benzenecarbothioic acid, 4-(2-methylbutoxy)-, S-(4-cyanophenyl) ester, S-(4-cyanophenyl) 4-(2-methylbutoxy)benzenecarbothioate, 4-[4-(2-METHYLBUTOXY)BENZOYLSULFANYL]BENZONITRILE
| Molecular Formula | C19H19NO2S |
|---|---|
| Molecular Weight | 325.11 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 75.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 325.11365 |
| Heavy Atoms | 23 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 64240-66-0 |
|---|---|
| SMILES | CCC(C)COC1=CC=C(C=C1)C(=O)SC2=CC=C(C=C2)C#N |
| InChIKey | UZGHYWQMZZYYOH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenecarbothioic acid, 4-(2-methylbutoxy)-, S-(4-cyanophenyl) ester (CAS 64240-66-0), with molecular formula C19H19NO2S and molecular weight 325.11 g/mol. IUPAC: S-(4-cyanophenyl) 4-(2-methylbutoxy)benzenecarbothioate.
Chemical Property Profile of Benzenecarbothioic acid, 4-(2-methylbutoxy)-, S-(4-cyanophenyl) ester
Property Insights of Benzenecarbothioic acid, 4-(2-methylbutoxy)-, S-(4-cyanophenyl) ester
The XLogP value of 5.3 indicates that Benzenecarbothioic acid, 4-(2-methylbutoxy)-, S-(4-cyanophenyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenecarbothioic acid, 4-(2-methylbutoxy)-, S-(4-cyanophenyl) ester. Following Lipinski's Rule of Five, Benzenecarbothioic acid, 4-(2-methylbutoxy)-, S-(4-cyanophenyl) ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzenecarbothioic acid, 4-(2-methylbutoxy)-, S-(4-cyanophenyl) ester?
The CAS number of Benzenecarbothioic acid, 4-(2-methylbutoxy)-, S-(4-cyanophenyl) ester is 64240-66-0.
What is the molecular formula of Benzenecarbothioic acid, 4-(2-methylbutoxy)-, S-(4-cyanophenyl) ester?
The molecular formula of Benzenecarbothioic acid, 4-(2-methylbutoxy)-, S-(4-cyanophenyl) ester is C19H19NO2S.
What is the molecular weight of Benzenecarbothioic acid, 4-(2-methylbutoxy)-, S-(4-cyanophenyl) ester?
The molecular weight of Benzenecarbothioic acid, 4-(2-methylbutoxy)-, S-(4-cyanophenyl) ester is 325.11 g/mol.
Where can I buy Benzenecarbothioic acid, 4-(2-methylbutoxy)-, S-(4-cyanophenyl) ester?
You can request a quote for Benzenecarbothioic acid, 4-(2-methylbutoxy)-, S-(4-cyanophenyl) 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, 4-(2-methylbutoxy)-, S-(4-cyanophenyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenecarbothioic acid, 4-(2-methylbutoxy)-, S-(4-cyanophenyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.