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1-Hydroxy-3-{[(phenylamino)thioxomethyl]amino}thiolan-1-one
TL;DR: 1-Hydroxy-3-{[(phenylamino)thioxomethyl]amino}thiolan-1-one (CAS 321580-53-4) is a chemical compound with molecular formula C11H14N2O2S2 and molecular weight 270.05 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-phenylthiourea
Also Known As: SDCCGMLS-0064666.P001, 1-(1,1-dioxothiolan-3-yl)-3-phenylthiourea, 1-hydroxy-3-{[(phenylamino)thioxomethyl]amino}thiolan-1-one, 1-(1,1-dioxidotetrahydrothiophen-3-yl)-3-phenylthiourea, 1-(1,1-Dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-3-phenyl-thiourea
| Molecular Formula | C11H14N2O2S2 |
|---|---|
| Molecular Weight | 270.05 g/mol |
| LogP | 1.1601 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 270.04968 |
| Heavy Atoms | 17 |
| Complexity | 499.46252 |
Chemical Identifiers
| CAS Number | 321580-53-4 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1NC(=S)NC2=CC=CC=C2 |
Product Overview
1-Hydroxy-3-{[(phenylamino)thioxomethyl]amino}thiolan-1-one (CAS 321580-53-4), with molecular formula C11H14N2O2S2 and molecular weight 270.05 g/mol. IUPAC: 1-(1,1-dioxothiolan-3-yl)-3-phenylthiourea.
Chemical Property Profile of 1-Hydroxy-3-{[(phenylamino)thioxomethyl]amino}thiolan-1-one
Property Insights of 1-Hydroxy-3-{[(phenylamino)thioxomethyl]amino}thiolan-1-one
The XLogP value of 1.1601 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Hydroxy-3-{[(phenylamino)thioxomethyl]amino}thiolan-1-one. With a topological polar surface area (TPSA) of 58.2 Ų, 1-Hydroxy-3-{[(phenylamino)thioxomethyl]amino}thiolan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Hydroxy-3-{[(phenylamino)thioxomethyl]amino}thiolan-1-one has 2 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]amino}thiolan-1-one?
The CAS number of 1-Hydroxy-3-{[(phenylamino)thioxomethyl]amino}thiolan-1-one is 321580-53-4.
What is the molecular formula of 1-Hydroxy-3-{[(phenylamino)thioxomethyl]amino}thiolan-1-one?
The molecular formula of 1-Hydroxy-3-{[(phenylamino)thioxomethyl]amino}thiolan-1-one is C11H14N2O2S2.
What is the molecular weight of 1-Hydroxy-3-{[(phenylamino)thioxomethyl]amino}thiolan-1-one?
The molecular weight of 1-Hydroxy-3-{[(phenylamino)thioxomethyl]amino}thiolan-1-one is 270.05 g/mol.
Where can I buy 1-Hydroxy-3-{[(phenylamino)thioxomethyl]amino}thiolan-1-one?
You can request a quote for 1-Hydroxy-3-{[(phenylamino)thioxomethyl]amino}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]amino}thiolan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Hydroxy-3-{[(phenylamino)thioxomethyl]amino}thiolan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.