![Methyl [4-(butylthio)-1,1-dioxidotetrahydro-3-thienyl]carbamate structure](/static/products/4284/428457-74-3.webp)
Methyl [4-(butylthio)-1,1-dioxidotetrahydro-3-thienyl]carbamate
TL;DR: Methyl [4-(butylthio)-1,1-dioxidotetrahydro-3-thienyl]carbamate (CAS 428457-74-3) is a chemical compound with molecular formula C10H19NO4S2 and molecular weight 281.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-(4-butylsulfanyl-1,1-dioxothiolan-3-yl)carbamate
Also Known As: methyl N-(4-butylsulfanyl-1,1-dioxothiolan-3-yl)carbamate, methyl (4-(butylthio)-1,1-dioxidotetrahydrothiophen-3-yl)carbamate, methyl [4-(butylthio)-1,1-dioxidotetrahydro-3-thienyl]carbamate
| Molecular Formula | C10H19NO4S2 |
|---|---|
| Molecular Weight | 281.08 g/mol |
| LogP | 1.0413 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 281.07556 |
| Heavy Atoms | 17 |
| Complexity | 355.3174 |
Chemical Identifiers
| CAS Number | 428457-74-3 |
|---|---|
| SMILES | CCCCSC1CS(=O)(=O)CC1NC(=O)OC |
Product Overview
Methyl [4-(butylthio)-1,1-dioxidotetrahydro-3-thienyl]carbamate (CAS 428457-74-3), with molecular formula C10H19NO4S2 and molecular weight 281.08 g/mol. IUPAC: methyl N-(4-butylsulfanyl-1,1-dioxothiolan-3-yl)carbamate.
Chemical Property Profile of Methyl [4-(butylthio)-1,1-dioxidotetrahydro-3-thienyl]carbamate
Property Insights of Methyl [4-(butylthio)-1,1-dioxidotetrahydro-3-thienyl]carbamate
The XLogP value of 1.0413 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl [4-(butylthio)-1,1-dioxidotetrahydro-3-thienyl]carbamate. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl [4-(butylthio)-1,1-dioxidotetrahydro-3-thienyl]carbamate. Following Lipinski's Rule of Five, Methyl [4-(butylthio)-1,1-dioxidotetrahydro-3-thienyl]carbamate has 1 hydrogen bond donor(s) and 5 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 [4-(butylthio)-1,1-dioxidotetrahydro-3-thienyl]carbamate?
The CAS number of Methyl [4-(butylthio)-1,1-dioxidotetrahydro-3-thienyl]carbamate is 428457-74-3.
What is the molecular formula of Methyl [4-(butylthio)-1,1-dioxidotetrahydro-3-thienyl]carbamate?
The molecular formula of Methyl [4-(butylthio)-1,1-dioxidotetrahydro-3-thienyl]carbamate is C10H19NO4S2.
What is the molecular weight of Methyl [4-(butylthio)-1,1-dioxidotetrahydro-3-thienyl]carbamate?
The molecular weight of Methyl [4-(butylthio)-1,1-dioxidotetrahydro-3-thienyl]carbamate is 281.08 g/mol.
Where can I buy Methyl [4-(butylthio)-1,1-dioxidotetrahydro-3-thienyl]carbamate?
You can request a quote for Methyl [4-(butylthio)-1,1-dioxidotetrahydro-3-thienyl]carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl [4-(butylthio)-1,1-dioxidotetrahydro-3-thienyl]carbamate?
Yes, KEHONG BIO provides custom synthesis services for Methyl [4-(butylthio)-1,1-dioxidotetrahydro-3-thienyl]carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.