![3-{[(Dimethylamino)thioxomethyl]amino}-3-methylthiolane-1,1-dione structure](/static/products/5074/507456-52-2.webp)
3-{[(Dimethylamino)thioxomethyl]amino}-3-methylthiolane-1,1-dione
TL;DR: 3-{[(Dimethylamino)thioxomethyl]amino}-3-methylthiolane-1,1-dione (CAS 507456-52-2) is a chemical compound with molecular formula C8H16N2O2S2 and molecular weight 236.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dimethyl-3-(3-methyl-1,1-dioxothiolan-3-yl)thiourea
Also Known As: 3-{[(dimethylamino)thioxomethyl]amino}-3-methylthiolane-1,1-dione, 1,1-dimethyl-3-(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)thiourea, 1,1-dimethyl-3-(3-methyl-1,1-dioxothiolan-3-yl)thiourea, N,N-dimethyl-N'-(3-methyl-1,1-dioxidotetrahydro-3-thienyl)thiourea
| Molecular Formula | C8H16N2O2S2 |
|---|---|
| Molecular Weight | 236.07 g/mol |
| LogP | -0.0003 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 236.06532 |
| Heavy Atoms | 14 |
| Complexity | 337.25043 |
Chemical Identifiers
| CAS Number | 507456-52-2 |
|---|---|
| SMILES | CC1(CCS(=O)(=O)C1)NC(=S)N(C)C |
Product Overview
3-{[(Dimethylamino)thioxomethyl]amino}-3-methylthiolane-1,1-dione (CAS 507456-52-2), with molecular formula C8H16N2O2S2 and molecular weight 236.07 g/mol. IUPAC: 1,1-dimethyl-3-(3-methyl-1,1-dioxothiolan-3-yl)thiourea.
Chemical Property Profile of 3-{[(Dimethylamino)thioxomethyl]amino}-3-methylthiolane-1,1-dione
Property Insights of 3-{[(Dimethylamino)thioxomethyl]amino}-3-methylthiolane-1,1-dione
The XLogP value of -0.0003 indicates that 3-{[(Dimethylamino)thioxomethyl]amino}-3-methylthiolane-1,1-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 49.41 Ų, 3-{[(Dimethylamino)thioxomethyl]amino}-3-methylthiolane-1,1-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-{[(Dimethylamino)thioxomethyl]amino}-3-methylthiolane-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-{[(Dimethylamino)thioxomethyl]amino}-3-methylthiolane-1,1-dione?
The CAS number of 3-{[(Dimethylamino)thioxomethyl]amino}-3-methylthiolane-1,1-dione is 507456-52-2.
What is the molecular formula of 3-{[(Dimethylamino)thioxomethyl]amino}-3-methylthiolane-1,1-dione?
The molecular formula of 3-{[(Dimethylamino)thioxomethyl]amino}-3-methylthiolane-1,1-dione is C8H16N2O2S2.
What is the molecular weight of 3-{[(Dimethylamino)thioxomethyl]amino}-3-methylthiolane-1,1-dione?
The molecular weight of 3-{[(Dimethylamino)thioxomethyl]amino}-3-methylthiolane-1,1-dione is 236.07 g/mol.
Where can I buy 3-{[(Dimethylamino)thioxomethyl]amino}-3-methylthiolane-1,1-dione?
You can request a quote for 3-{[(Dimethylamino)thioxomethyl]amino}-3-methylthiolane-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-{[(Dimethylamino)thioxomethyl]amino}-3-methylthiolane-1,1-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-{[(Dimethylamino)thioxomethyl]amino}-3-methylthiolane-1,1-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.