4-Thiomorpholinyl(3,4,5-trimethoxyphenyl)methanethione
TL;DR: 4-Thiomorpholinyl(3,4,5-trimethoxyphenyl)methanethione (CAS 40359-59-9) is a chemical compound with molecular formula C14H19NO3S2 and molecular weight 313.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
thiomorpholin-4-yl-(3,4,5-trimethoxyphenyl)methanethione
Also Known As: Stannane,cyclohexylmethyldiphenyl, 1-(3,4,5-Trimethoxythiobenzoyl)-thiomorpholine, Thiomorpholine, 1-(3,4,5-trimethoxythiobenzoyl)-, thiomorpholin-4-yl(3,4,5-trimethoxyphenyl)methanethione, 4-Thiomorpholinyl(3,4,5-trimethoxyphenyl)methanethione
| Molecular Formula | C14H19NO3S2 |
|---|---|
| Molecular Weight | 313.08 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 88.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.08063 |
| Heavy Atoms | 20 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 40359-59-9 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=S)N2CCSCC2 |
| InChIKey | NGUPHJMVCXCOCV-UHFFFAOYSA-N |
Product Overview
4-Thiomorpholinyl(3,4,5-trimethoxyphenyl)methanethione (CAS 40359-59-9), with molecular formula C14H19NO3S2 and molecular weight 313.08 g/mol. IUPAC: thiomorpholin-4-yl-(3,4,5-trimethoxyphenyl)methanethione.
Chemical Property Profile of 4-Thiomorpholinyl(3,4,5-trimethoxyphenyl)methanethione
Property Insights of 4-Thiomorpholinyl(3,4,5-trimethoxyphenyl)methanethione
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Thiomorpholinyl(3,4,5-trimethoxyphenyl)methanethione. The TPSA of 88.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Thiomorpholinyl(3,4,5-trimethoxyphenyl)methanethione. Following Lipinski's Rule of Five, 4-Thiomorpholinyl(3,4,5-trimethoxyphenyl)methanethione has 0 hydrogen bond donor(s) and 5 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 4-Thiomorpholinyl(3,4,5-trimethoxyphenyl)methanethione?
The CAS number of 4-Thiomorpholinyl(3,4,5-trimethoxyphenyl)methanethione is 40359-59-9.
What is the molecular formula of 4-Thiomorpholinyl(3,4,5-trimethoxyphenyl)methanethione?
The molecular formula of 4-Thiomorpholinyl(3,4,5-trimethoxyphenyl)methanethione is C14H19NO3S2.
What is the molecular weight of 4-Thiomorpholinyl(3,4,5-trimethoxyphenyl)methanethione?
The molecular weight of 4-Thiomorpholinyl(3,4,5-trimethoxyphenyl)methanethione is 313.08 g/mol.
Where can I buy 4-Thiomorpholinyl(3,4,5-trimethoxyphenyl)methanethione?
You can request a quote for 4-Thiomorpholinyl(3,4,5-trimethoxyphenyl)methanethione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Thiomorpholinyl(3,4,5-trimethoxyphenyl)methanethione?
Yes, KEHONG BIO provides custom synthesis services for 4-Thiomorpholinyl(3,4,5-trimethoxyphenyl)methanethione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.