Benzenecarbothioamide, 3-ethoxy-4-propoxy-
TL;DR: Benzenecarbothioamide, 3-ethoxy-4-propoxy- (CAS 60759-01-5) is a chemical compound with molecular formula C12H17NO2S and molecular weight 239.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethoxy-4-propoxybenzenecarbothioamide
Also Known As: Benzenecarbothioamide, 3-ethoxy-4-propoxy-, 3-ethoxy-4-propoxybenzenecarbothioamide, Benzenecarbothioamide,3-ethoxy-4-propoxy, 3-Ethoxy-4-propoxybenzene-1-carbothioamide
| Molecular Formula | C12H17NO2S |
|---|---|
| Molecular Weight | 239.10 g/mol |
| LogP | 2.5083 |
| Topological Polar Surface Area | 44.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 239.098 |
| Heavy Atoms | 16 |
| Complexity | 366.03644 |
Chemical Identifiers
| CAS Number | 60759-01-5 |
|---|---|
| SMILES | CCCOC1=C(C=C(C=C1)C(=S)N)OCC |
Product Overview
Benzenecarbothioamide, 3-ethoxy-4-propoxy- (CAS 60759-01-5), with molecular formula C12H17NO2S and molecular weight 239.10 g/mol. IUPAC: 3-ethoxy-4-propoxybenzenecarbothioamide.
Chemical Property Profile of Benzenecarbothioamide, 3-ethoxy-4-propoxy-
Property Insights of Benzenecarbothioamide, 3-ethoxy-4-propoxy-
The XLogP value of 2.5083 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenecarbothioamide, 3-ethoxy-4-propoxy-. With a topological polar surface area (TPSA) of 44.48 Ų, Benzenecarbothioamide, 3-ethoxy-4-propoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenecarbothioamide, 3-ethoxy-4-propoxy- has 1 hydrogen bond donor(s) and 3 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 Benzenecarbothioamide, 3-ethoxy-4-propoxy-?
The CAS number of Benzenecarbothioamide, 3-ethoxy-4-propoxy- is 60759-01-5.
What is the molecular formula of Benzenecarbothioamide, 3-ethoxy-4-propoxy-?
The molecular formula of Benzenecarbothioamide, 3-ethoxy-4-propoxy- is C12H17NO2S.
What is the molecular weight of Benzenecarbothioamide, 3-ethoxy-4-propoxy-?
The molecular weight of Benzenecarbothioamide, 3-ethoxy-4-propoxy- is 239.10 g/mol.
Where can I buy Benzenecarbothioamide, 3-ethoxy-4-propoxy-?
You can request a quote for Benzenecarbothioamide, 3-ethoxy-4-propoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenecarbothioamide, 3-ethoxy-4-propoxy-?
Yes, KEHONG BIO provides custom synthesis services for Benzenecarbothioamide, 3-ethoxy-4-propoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.