![1-Hydroxy-3-{[(phenylamino)thioxomethyl]propylamino}thiolan-1-one structure](/static/products/3270/327079-18-5.webp)
1-Hydroxy-3-{[(phenylamino)thioxomethyl]propylamino}thiolan-1-one
TL;DR: 1-Hydroxy-3-{[(phenylamino)thioxomethyl]propylamino}thiolan-1-one (CAS 327079-18-5) is a chemical compound with molecular formula C14H20N2O2S2 and molecular weight 312.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,1-dioxothiolan-3-yl)-3-phenyl-1-propylthiourea
Also Known As: 1-hydroxy-3-{[(phenylamino)thioxomethyl]propylamino}thiolan-1-one, 1-(1,1-dioxothiolan-3-yl)-3-phenyl-1-propylthiourea, 1-(1,1-dioxidotetrahydrothiophen-3-yl)-3-phenyl-1-propylthiourea, N-(1,1-dioxidotetrahydro-3-thienyl)-N'-phenyl-N-propylthiourea
| Molecular Formula | C14H20N2O2S2 |
|---|---|
| Molecular Weight | 312.10 g/mol |
| LogP | 2.2825 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.09662 |
| Heavy Atoms | 20 |
| Complexity | 557.79645 |
Chemical Identifiers
| CAS Number | 327079-18-5 |
|---|---|
| SMILES | CCCN(C1CCS(=O)(=O)C1)C(=S)NC2=CC=CC=C2 |
Product Overview
1-Hydroxy-3-{[(phenylamino)thioxomethyl]propylamino}thiolan-1-one (CAS 327079-18-5), with molecular formula C14H20N2O2S2 and molecular weight 312.10 g/mol. IUPAC: 1-(1,1-dioxothiolan-3-yl)-3-phenyl-1-propylthiourea.
Chemical Property Profile of 1-Hydroxy-3-{[(phenylamino)thioxomethyl]propylamino}thiolan-1-one
Property Insights of 1-Hydroxy-3-{[(phenylamino)thioxomethyl]propylamino}thiolan-1-one
The XLogP value of 2.2825 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Hydroxy-3-{[(phenylamino)thioxomethyl]propylamino}thiolan-1-one. With a topological polar surface area (TPSA) of 49.41 Ų, 1-Hydroxy-3-{[(phenylamino)thioxomethyl]propylamino}thiolan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Hydroxy-3-{[(phenylamino)thioxomethyl]propylamino}thiolan-1-one 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 1-Hydroxy-3-{[(phenylamino)thioxomethyl]propylamino}thiolan-1-one?
The CAS number of 1-Hydroxy-3-{[(phenylamino)thioxomethyl]propylamino}thiolan-1-one is 327079-18-5.
What is the molecular formula of 1-Hydroxy-3-{[(phenylamino)thioxomethyl]propylamino}thiolan-1-one?
The molecular formula of 1-Hydroxy-3-{[(phenylamino)thioxomethyl]propylamino}thiolan-1-one is C14H20N2O2S2.
What is the molecular weight of 1-Hydroxy-3-{[(phenylamino)thioxomethyl]propylamino}thiolan-1-one?
The molecular weight of 1-Hydroxy-3-{[(phenylamino)thioxomethyl]propylamino}thiolan-1-one is 312.10 g/mol.
Where can I buy 1-Hydroxy-3-{[(phenylamino)thioxomethyl]propylamino}thiolan-1-one?
You can request a quote for 1-Hydroxy-3-{[(phenylamino)thioxomethyl]propylamino}thiolan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Hydroxy-3-{[(phenylamino)thioxomethyl]propylamino}thiolan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Hydroxy-3-{[(phenylamino)thioxomethyl]propylamino}thiolan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.