Methyl (1,1-dioxidotetrahydrothiophen-3-yl)methylcarbamodithioate
TL;DR: Methyl (1,1-dioxidotetrahydrothiophen-3-yl)methylcarbamodithioate (CAS 321580-83-0) is a chemical compound with molecular formula C7H13NO2S3 and molecular weight 239.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-(1,1-dioxothiolan-3-yl)-N-methylcarbamodithioate
Also Known As: methyl N-(1,1-dioxothiolan-3-yl)-N-methylcarbamodithioate, methyl (1,1-dioxidotetrahydrothiophen-3-yl)methylcarbamodithioate, 3-[methyl(methylthiothioxomethyl)amino]thiolane-1,1-dione, N-(1,1-dioxo-1lambda6-thiolan-3-yl)-N-methyl(methylsulfanyl)carbothioamide, methyl (1,1-dioxidotetrahydrothiophen-3-yl)(methyl)carbamodithioate
| Molecular Formula | C7H13NO2S3 |
|---|---|
| Molecular Weight | 239.01 g/mol |
| LogP | 0.7532 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 239.01085 |
| Heavy Atoms | 13 |
| Complexity | 298.85953 |
Chemical Identifiers
| CAS Number | 321580-83-0 |
|---|---|
| SMILES | CN(C1CCS(=O)(=O)C1)C(=S)SC |
Product Overview
Methyl (1,1-dioxidotetrahydrothiophen-3-yl)methylcarbamodithioate (CAS 321580-83-0), with molecular formula C7H13NO2S3 and molecular weight 239.01 g/mol. IUPAC: methyl N-(1,1-dioxothiolan-3-yl)-N-methylcarbamodithioate.
Chemical Property Profile of Methyl (1,1-dioxidotetrahydrothiophen-3-yl)methylcarbamodithioate
Property Insights of Methyl (1,1-dioxidotetrahydrothiophen-3-yl)methylcarbamodithioate
The XLogP value of 0.7532 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (1,1-dioxidotetrahydrothiophen-3-yl)methylcarbamodithioate. With a topological polar surface area (TPSA) of 37.38 Ų, Methyl (1,1-dioxidotetrahydrothiophen-3-yl)methylcarbamodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl (1,1-dioxidotetrahydrothiophen-3-yl)methylcarbamodithioate has 0 hydrogen bond donor(s) and 4 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 Methyl (1,1-dioxidotetrahydrothiophen-3-yl)methylcarbamodithioate?
The CAS number of Methyl (1,1-dioxidotetrahydrothiophen-3-yl)methylcarbamodithioate is 321580-83-0.
What is the molecular formula of Methyl (1,1-dioxidotetrahydrothiophen-3-yl)methylcarbamodithioate?
The molecular formula of Methyl (1,1-dioxidotetrahydrothiophen-3-yl)methylcarbamodithioate is C7H13NO2S3.
What is the molecular weight of Methyl (1,1-dioxidotetrahydrothiophen-3-yl)methylcarbamodithioate?
The molecular weight of Methyl (1,1-dioxidotetrahydrothiophen-3-yl)methylcarbamodithioate is 239.01 g/mol.
Where can I buy Methyl (1,1-dioxidotetrahydrothiophen-3-yl)methylcarbamodithioate?
You can request a quote for Methyl (1,1-dioxidotetrahydrothiophen-3-yl)methylcarbamodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (1,1-dioxidotetrahydrothiophen-3-yl)methylcarbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (1,1-dioxidotetrahydrothiophen-3-yl)methylcarbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.