Benzyl (1,1-dioxidotetrahydrothiophen-3-yl)carbamodithioate
TL;DR: Benzyl (1,1-dioxidotetrahydrothiophen-3-yl)carbamodithioate (CAS 302902-44-9) is a chemical compound with molecular formula C12H15NO2S3 and molecular weight 301.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-(1,1-dioxothiolan-3-yl)carbamodithioate
Also Known As: IFLab1_003744, IDI1_009851, BAS 00159002, benzyl N-(1,1-dioxothiolan-3-yl)carbamodithioate, benzyl (1,1-dioxidotetrahydrothiophen-3-yl)carbamodithioate
| Molecular Formula | C12H15NO2S3 |
|---|---|
| Molecular Weight | 301.03 g/mol |
| LogP | 1.9814 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.0265 |
| Heavy Atoms | 18 |
| Complexity | 513.38385 |
Chemical Identifiers
| CAS Number | 302902-44-9 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1NC(=S)SCC2=CC=CC=C2 |
Product Overview
Benzyl (1,1-dioxidotetrahydrothiophen-3-yl)carbamodithioate (CAS 302902-44-9), with molecular formula C12H15NO2S3 and molecular weight 301.03 g/mol. IUPAC: benzyl N-(1,1-dioxothiolan-3-yl)carbamodithioate.
Chemical Property Profile of Benzyl (1,1-dioxidotetrahydrothiophen-3-yl)carbamodithioate
Property Insights of Benzyl (1,1-dioxidotetrahydrothiophen-3-yl)carbamodithioate
The XLogP value of 1.9814 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl (1,1-dioxidotetrahydrothiophen-3-yl)carbamodithioate. With a topological polar surface area (TPSA) of 46.17 Ų, Benzyl (1,1-dioxidotetrahydrothiophen-3-yl)carbamodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl (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 Benzyl (1,1-dioxidotetrahydrothiophen-3-yl)carbamodithioate?
The CAS number of Benzyl (1,1-dioxidotetrahydrothiophen-3-yl)carbamodithioate is 302902-44-9.
What is the molecular formula of Benzyl (1,1-dioxidotetrahydrothiophen-3-yl)carbamodithioate?
The molecular formula of Benzyl (1,1-dioxidotetrahydrothiophen-3-yl)carbamodithioate is C12H15NO2S3.
What is the molecular weight of Benzyl (1,1-dioxidotetrahydrothiophen-3-yl)carbamodithioate?
The molecular weight of Benzyl (1,1-dioxidotetrahydrothiophen-3-yl)carbamodithioate is 301.03 g/mol.
Where can I buy Benzyl (1,1-dioxidotetrahydrothiophen-3-yl)carbamodithioate?
You can request a quote for Benzyl (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 Benzyl (1,1-dioxidotetrahydrothiophen-3-yl)carbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl (1,1-dioxidotetrahydrothiophen-3-yl)carbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.