methyl N-butyl-N-(1,1-dioxothiolan-3-yl)carbamodithioate
TL;DR: methyl N-butyl-N-(1,1-dioxothiolan-3-yl)carbamodithioate (CAS 321580-87-4) is a chemical compound with molecular formula C10H19NO2S3 and molecular weight 281.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-butyl-N-(1,1-dioxothiolan-3-yl)carbamodithioate
Also Known As: methyl N-butyl-N-(1,1-dioxothiolan-3-yl)carbamodithioate, methyl butyl(1,1-dioxidotetrahydrothien-3-yl)dithiocarbamate, methyl butyl(1,1-dioxidotetrahydrothiophen-3-yl)carbamodithioate, 3-[butyl(methylthiothioxomethyl)amino]-1-hydroxythiolan-1-one, Methyl butyl(1,1-dioxo-1lambda~6~-thiolan-3-yl)carbamodithioate
| Molecular Formula | C10H19NO2S3 |
|---|---|
| Molecular Weight | 281.06 g/mol |
| LogP | 1.9235 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 281.0578 |
| Heavy Atoms | 16 |
| Complexity | 339.9733 |
Chemical Identifiers
| CAS Number | 321580-87-4 |
|---|---|
| SMILES | CCCCN(C1CCS(=O)(=O)C1)C(=S)SC |
Product Overview
methyl N-butyl-N-(1,1-dioxothiolan-3-yl)carbamodithioate (CAS 321580-87-4), with molecular formula C10H19NO2S3 and molecular weight 281.06 g/mol. IUPAC: methyl N-butyl-N-(1,1-dioxothiolan-3-yl)carbamodithioate.
Chemical Property Profile of methyl N-butyl-N-(1,1-dioxothiolan-3-yl)carbamodithioate
Property Insights of methyl N-butyl-N-(1,1-dioxothiolan-3-yl)carbamodithioate
The XLogP value of 1.9235 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-butyl-N-(1,1-dioxothiolan-3-yl)carbamodithioate. With a topological polar surface area (TPSA) of 37.38 Ų, methyl N-butyl-N-(1,1-dioxothiolan-3-yl)carbamodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl N-butyl-N-(1,1-dioxothiolan-3-yl)carbamodithioate 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 N-butyl-N-(1,1-dioxothiolan-3-yl)carbamodithioate?
The CAS number of methyl N-butyl-N-(1,1-dioxothiolan-3-yl)carbamodithioate is 321580-87-4.
What is the molecular formula of methyl N-butyl-N-(1,1-dioxothiolan-3-yl)carbamodithioate?
The molecular formula of methyl N-butyl-N-(1,1-dioxothiolan-3-yl)carbamodithioate is C10H19NO2S3.
What is the molecular weight of methyl N-butyl-N-(1,1-dioxothiolan-3-yl)carbamodithioate?
The molecular weight of methyl N-butyl-N-(1,1-dioxothiolan-3-yl)carbamodithioate is 281.06 g/mol.
Where can I buy methyl N-butyl-N-(1,1-dioxothiolan-3-yl)carbamodithioate?
You can request a quote for methyl N-butyl-N-(1,1-dioxothiolan-3-yl)carbamodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl N-butyl-N-(1,1-dioxothiolan-3-yl)carbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-butyl-N-(1,1-dioxothiolan-3-yl)carbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.