![3-Methyl-3-{[(phenylamino)thioxomethyl]amino}thiolane-1,1-dione structure](/static/products/5074/507459-48-5.webp)
3-Methyl-3-{[(phenylamino)thioxomethyl]amino}thiolane-1,1-dione
TL;DR: 3-Methyl-3-{[(phenylamino)thioxomethyl]amino}thiolane-1,1-dione (CAS 507459-48-5) is a chemical compound with molecular formula C12H16N2O2S2 and molecular weight 284.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-methyl-1,1-dioxothiolan-3-yl)-3-phenylthiourea
Also Known As: 3-methyl-3-{[(phenylamino)thioxomethyl]amino}thiolane-1,1-dione, 1-(3-methyl-1,1-dioxothiolan-3-yl)-3-phenylthiourea, 1-(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)-3-phenylthiourea, 1-(3-Methyl-1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-3-phenyl-thiourea
| Molecular Formula | C12H16N2O2S2 |
|---|---|
| Molecular Weight | 284.07 g/mol |
| LogP | 1.5502 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 284.0653 |
| Heavy Atoms | 18 |
| Complexity | 542.4556 |
Chemical Identifiers
| CAS Number | 507459-48-5 |
|---|---|
| SMILES | CC1(CCS(=O)(=O)C1)NC(=S)NC2=CC=CC=C2 |
Product Overview
3-Methyl-3-{[(phenylamino)thioxomethyl]amino}thiolane-1,1-dione (CAS 507459-48-5), with molecular formula C12H16N2O2S2 and molecular weight 284.07 g/mol. IUPAC: 1-(3-methyl-1,1-dioxothiolan-3-yl)-3-phenylthiourea.
Chemical Property Profile of 3-Methyl-3-{[(phenylamino)thioxomethyl]amino}thiolane-1,1-dione
Property Insights of 3-Methyl-3-{[(phenylamino)thioxomethyl]amino}thiolane-1,1-dione
The XLogP value of 1.5502 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-3-{[(phenylamino)thioxomethyl]amino}thiolane-1,1-dione. With a topological polar surface area (TPSA) of 58.2 Ų, 3-Methyl-3-{[(phenylamino)thioxomethyl]amino}thiolane-1,1-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-3-{[(phenylamino)thioxomethyl]amino}thiolane-1,1-dione 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 3-Methyl-3-{[(phenylamino)thioxomethyl]amino}thiolane-1,1-dione?
The CAS number of 3-Methyl-3-{[(phenylamino)thioxomethyl]amino}thiolane-1,1-dione is 507459-48-5.
What is the molecular formula of 3-Methyl-3-{[(phenylamino)thioxomethyl]amino}thiolane-1,1-dione?
The molecular formula of 3-Methyl-3-{[(phenylamino)thioxomethyl]amino}thiolane-1,1-dione is C12H16N2O2S2.
What is the molecular weight of 3-Methyl-3-{[(phenylamino)thioxomethyl]amino}thiolane-1,1-dione?
The molecular weight of 3-Methyl-3-{[(phenylamino)thioxomethyl]amino}thiolane-1,1-dione is 284.07 g/mol.
Where can I buy 3-Methyl-3-{[(phenylamino)thioxomethyl]amino}thiolane-1,1-dione?
You can request a quote for 3-Methyl-3-{[(phenylamino)thioxomethyl]amino}thiolane-1,1-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-3-{[(phenylamino)thioxomethyl]amino}thiolane-1,1-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-3-{[(phenylamino)thioxomethyl]amino}thiolane-1,1-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.