N-(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)azepane-1-carbothioamide
TL;DR: N-(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)azepane-1-carbothioamide (CAS 443651-85-2) is a chemical compound with molecular formula C12H22N2O2S2 and molecular weight 290.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-methyl-1,1-dioxothiolan-3-yl)azepane-1-carbothioamide
Also Known As: N-(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)azepane-1-carbothioamide, N-(3-methyl-1,1-dioxothiolan-3-yl)azepane-1-carbothioamide, F1068-0879, N-(3-methyl-1,1-dioxo-1lambda6-thiolan-3-yl)azepane-1-carbothioamide, 3-[(azaperhydroepinylthioxomethyl)amino]-3-methylthiolane-1,1-dione
| Molecular Formula | C12H22N2O2S2 |
|---|---|
| Molecular Weight | 290.11 g/mol |
| LogP | 1.3141 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 290.11227 |
| Heavy Atoms | 18 |
| Complexity | 413.79333 |
Chemical Identifiers
| CAS Number | 443651-85-2 |
|---|---|
| SMILES | CC1(CCS(=O)(=O)C1)NC(=S)N2CCCCCC2 |
Product Overview
N-(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)azepane-1-carbothioamide (CAS 443651-85-2), with molecular formula C12H22N2O2S2 and molecular weight 290.11 g/mol. IUPAC: N-(3-methyl-1,1-dioxothiolan-3-yl)azepane-1-carbothioamide.
Chemical Property Profile of N-(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)azepane-1-carbothioamide
Property Insights of N-(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)azepane-1-carbothioamide
The XLogP value of 1.3141 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)azepane-1-carbothioamide. With a topological polar surface area (TPSA) of 49.41 Ų, N-(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)azepane-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)azepane-1-carbothioamide 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 N-(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)azepane-1-carbothioamide?
The CAS number of N-(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)azepane-1-carbothioamide is 443651-85-2.
What is the molecular formula of N-(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)azepane-1-carbothioamide?
The molecular formula of N-(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)azepane-1-carbothioamide is C12H22N2O2S2.
What is the molecular weight of N-(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)azepane-1-carbothioamide?
The molecular weight of N-(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)azepane-1-carbothioamide is 290.11 g/mol.
Where can I buy N-(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)azepane-1-carbothioamide?
You can request a quote for N-(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)azepane-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)azepane-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)azepane-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.