Isopropyl (1,1-dioxidotetrahydrothiophen-3-yl)carbamodithioate
TL;DR: Isopropyl (1,1-dioxidotetrahydrothiophen-3-yl)carbamodithioate (CAS 321580-43-2) is a chemical compound with molecular formula C8H15NO2S3 and molecular weight 253.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl N-(1,1-dioxothiolan-3-yl)carbamodithioate
Also Known As: propan-2-yl N-(1,1-dioxothiolan-3-yl)carbamodithioate, isopropyl (1,1-dioxidotetrahydro-3-thienyl)dithiocarbamate, isopropyl (1,1-dioxidotetrahydrothiophen-3-yl)carbamodithioate, N-(1,1-dioxothiolan-3-yl)-1-propan-2-ylsulfanyl-methanethioamide
| Molecular Formula | C8H15NO2S3 |
|---|---|
| Molecular Weight | 253.03 g/mol |
| LogP | 1.1896 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.02649 |
| Heavy Atoms | 14 |
| Complexity | 310.5481 |
Chemical Identifiers
| CAS Number | 321580-43-2 |
|---|---|
| SMILES | CC(C)SC(=S)NC1CCS(=O)(=O)C1 |
Product Overview
Isopropyl (1,1-dioxidotetrahydrothiophen-3-yl)carbamodithioate (CAS 321580-43-2), with molecular formula C8H15NO2S3 and molecular weight 253.03 g/mol. IUPAC: propan-2-yl N-(1,1-dioxothiolan-3-yl)carbamodithioate.
Chemical Property Profile of Isopropyl (1,1-dioxidotetrahydrothiophen-3-yl)carbamodithioate
Property Insights of Isopropyl (1,1-dioxidotetrahydrothiophen-3-yl)carbamodithioate
The XLogP value of 1.1896 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropyl (1,1-dioxidotetrahydrothiophen-3-yl)carbamodithioate. With a topological polar surface area (TPSA) of 46.17 Ų, Isopropyl (1,1-dioxidotetrahydrothiophen-3-yl)carbamodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl (1,1-dioxidotetrahydrothiophen-3-yl)carbamodithioate has 1 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 Isopropyl (1,1-dioxidotetrahydrothiophen-3-yl)carbamodithioate?
The CAS number of Isopropyl (1,1-dioxidotetrahydrothiophen-3-yl)carbamodithioate is 321580-43-2.
What is the molecular formula of Isopropyl (1,1-dioxidotetrahydrothiophen-3-yl)carbamodithioate?
The molecular formula of Isopropyl (1,1-dioxidotetrahydrothiophen-3-yl)carbamodithioate is C8H15NO2S3.
What is the molecular weight of Isopropyl (1,1-dioxidotetrahydrothiophen-3-yl)carbamodithioate?
The molecular weight of Isopropyl (1,1-dioxidotetrahydrothiophen-3-yl)carbamodithioate is 253.03 g/mol.
Where can I buy Isopropyl (1,1-dioxidotetrahydrothiophen-3-yl)carbamodithioate?
You can request a quote for Isopropyl (1,1-dioxidotetrahydrothiophen-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 Isopropyl (1,1-dioxidotetrahydrothiophen-3-yl)carbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl (1,1-dioxidotetrahydrothiophen-3-yl)carbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.