1-(1,1-Dioxidotetrahydrothiophen-3-yl)-3-methylthiourea
TL;DR: 1-(1,1-Dioxidotetrahydrothiophen-3-yl)-3-methylthiourea (CAS 85109-46-2) is a chemical compound with molecular formula C6H12N2O2S2 and molecular weight 208.03 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-methylthiourea
Also Known As: starbld0040730, ChemDiv3_004065, 1-(1,1-dioxothiolan-3-yl)-3-methylthiourea, IDI1_021975, 1-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methylthiourea
| Molecular Formula | C6H12N2O2S2 |
|---|---|
| Molecular Weight | 208.03 g/mol |
| LogP | -0.7326 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 208.03403 |
| Heavy Atoms | 12 |
| Complexity | 273.27267 |
Chemical Identifiers
| CAS Number | 85109-46-2 |
|---|---|
| SMILES | CNC(=S)NC1CCS(=O)(=O)C1 |
Product Overview
1-(1,1-Dioxidotetrahydrothiophen-3-yl)-3-methylthiourea (CAS 85109-46-2), with molecular formula C6H12N2O2S2 and molecular weight 208.03 g/mol. IUPAC: 1-(1,1-dioxothiolan-3-yl)-3-methylthiourea.
Chemical Property Profile of 1-(1,1-Dioxidotetrahydrothiophen-3-yl)-3-methylthiourea
Property Insights of 1-(1,1-Dioxidotetrahydrothiophen-3-yl)-3-methylthiourea
The XLogP value of -0.7326 indicates that 1-(1,1-Dioxidotetrahydrothiophen-3-yl)-3-methylthiourea is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 58.2 Ų, 1-(1,1-Dioxidotetrahydrothiophen-3-yl)-3-methylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,1-Dioxidotetrahydrothiophen-3-yl)-3-methylthiourea 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-(1,1-Dioxidotetrahydrothiophen-3-yl)-3-methylthiourea?
The CAS number of 1-(1,1-Dioxidotetrahydrothiophen-3-yl)-3-methylthiourea is 85109-46-2.
What is the molecular formula of 1-(1,1-Dioxidotetrahydrothiophen-3-yl)-3-methylthiourea?
The molecular formula of 1-(1,1-Dioxidotetrahydrothiophen-3-yl)-3-methylthiourea is C6H12N2O2S2.
What is the molecular weight of 1-(1,1-Dioxidotetrahydrothiophen-3-yl)-3-methylthiourea?
The molecular weight of 1-(1,1-Dioxidotetrahydrothiophen-3-yl)-3-methylthiourea is 208.03 g/mol.
Where can I buy 1-(1,1-Dioxidotetrahydrothiophen-3-yl)-3-methylthiourea?
You can request a quote for 1-(1,1-Dioxidotetrahydrothiophen-3-yl)-3-methylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,1-Dioxidotetrahydrothiophen-3-yl)-3-methylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,1-Dioxidotetrahydrothiophen-3-yl)-3-methylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.