![3-{Methyl[(prop-2-enylamino)thioxomethyl]amino}thiolane-1,1-dione structure](/static/products/3926/392673-37-9.webp)
3-{Methyl[(prop-2-enylamino)thioxomethyl]amino}thiolane-1,1-dione
TL;DR: 3-{Methyl[(prop-2-enylamino)thioxomethyl]amino}thiolane-1,1-dione (CAS 392673-37-9) is a chemical compound with molecular formula C9H16N2O2S2 and molecular weight 248.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,1-dioxothiolan-3-yl)-1-methyl-3-prop-2-enylthiourea
Also Known As: 3-{methyl[(prop-2-enylamino)thioxomethyl]amino}thiolane-1,1-dione, 1-(1,1-dioxothiolan-3-yl)-1-methyl-3-prop-2-enylthiourea, 3-allyl-1-(1,1-dioxidotetrahydrothiophen-3-yl)-1-methylthiourea, 1-(1,1-dioxidotetrahydrothiophen-3-yl)-1-methyl-3-prop-2-en-1-ylthiourea, 1-(1,1-DIOXO-1??-THIOLAN-3-YL)-1-METHYL-3-(PROP-2-EN-1-YL)THIOUREA
| Molecular Formula | C9H16N2O2S2 |
|---|---|
| Molecular Weight | 248.07 g/mol |
| LogP | 0.1658 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.06532 |
| Heavy Atoms | 15 |
| Complexity | 351.12384 |
Chemical Identifiers
| CAS Number | 392673-37-9 |
|---|---|
| SMILES | CN(C1CCS(=O)(=O)C1)C(=S)NCC=C |
Product Overview
3-{Methyl[(prop-2-enylamino)thioxomethyl]amino}thiolane-1,1-dione (CAS 392673-37-9), with molecular formula C9H16N2O2S2 and molecular weight 248.07 g/mol. IUPAC: 1-(1,1-dioxothiolan-3-yl)-1-methyl-3-prop-2-enylthiourea.
Chemical Property Profile of 3-{Methyl[(prop-2-enylamino)thioxomethyl]amino}thiolane-1,1-dione
Property Insights of 3-{Methyl[(prop-2-enylamino)thioxomethyl]amino}thiolane-1,1-dione
The XLogP value of 0.1658 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{Methyl[(prop-2-enylamino)thioxomethyl]amino}thiolane-1,1-dione. With a topological polar surface area (TPSA) of 49.41 Ų, 3-{Methyl[(prop-2-enylamino)thioxomethyl]amino}thiolane-1,1-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-{Methyl[(prop-2-enylamino)thioxomethyl]amino}thiolane-1,1-dione 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 3-{Methyl[(prop-2-enylamino)thioxomethyl]amino}thiolane-1,1-dione?
The CAS number of 3-{Methyl[(prop-2-enylamino)thioxomethyl]amino}thiolane-1,1-dione is 392673-37-9.
What is the molecular formula of 3-{Methyl[(prop-2-enylamino)thioxomethyl]amino}thiolane-1,1-dione?
The molecular formula of 3-{Methyl[(prop-2-enylamino)thioxomethyl]amino}thiolane-1,1-dione is C9H16N2O2S2.
What is the molecular weight of 3-{Methyl[(prop-2-enylamino)thioxomethyl]amino}thiolane-1,1-dione?
The molecular weight of 3-{Methyl[(prop-2-enylamino)thioxomethyl]amino}thiolane-1,1-dione is 248.07 g/mol.
Where can I buy 3-{Methyl[(prop-2-enylamino)thioxomethyl]amino}thiolane-1,1-dione?
You can request a quote for 3-{Methyl[(prop-2-enylamino)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[(prop-2-enylamino)thioxomethyl]amino}thiolane-1,1-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-{Methyl[(prop-2-enylamino)thioxomethyl]amino}thiolane-1,1-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.