Allyl 1,1-dioxidotetrahydrothien-3-yldithiocarbamate
TL;DR: Allyl 1,1-dioxidotetrahydrothien-3-yldithiocarbamate (CAS 294668-88-5) is a chemical compound with molecular formula C8H13NO2S3 and molecular weight 251.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl N-(1,1-dioxothiolan-3-yl)carbamodithioate
Also Known As: allyl 1,1-dioxidotetrahydrothien-3-yldithiocarbamate, allyl 1,1-dioxidotetrahydro-3-thienyldithiocarbamate, prop-2-enyl N-(1,1-dioxothiolan-3-yl)carbamodithioate, 3-[(prop-2-enylthiothioxomethyl)amino]thiolane-1,1-dione, allyl (1,1-dioxidotetrahydrothiophen-3-yl)carbamodithioate
| Molecular Formula | C8H13NO2S3 |
|---|---|
| Molecular Weight | 251.01 g/mol |
| LogP | 0.9672 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.01085 |
| Heavy Atoms | 14 |
| Complexity | 323.4781 |
Chemical Identifiers
| CAS Number | 294668-88-5 |
|---|---|
| SMILES | C=CCSC(=S)NC1CCS(=O)(=O)C1 |
Product Overview
Allyl 1,1-dioxidotetrahydrothien-3-yldithiocarbamate (CAS 294668-88-5), with molecular formula C8H13NO2S3 and molecular weight 251.01 g/mol. IUPAC: prop-2-enyl N-(1,1-dioxothiolan-3-yl)carbamodithioate.
Chemical Property Profile of Allyl 1,1-dioxidotetrahydrothien-3-yldithiocarbamate
Property Insights of Allyl 1,1-dioxidotetrahydrothien-3-yldithiocarbamate
The XLogP value of 0.9672 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allyl 1,1-dioxidotetrahydrothien-3-yldithiocarbamate. With a topological polar surface area (TPSA) of 46.17 Ų, Allyl 1,1-dioxidotetrahydrothien-3-yldithiocarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allyl 1,1-dioxidotetrahydrothien-3-yldithiocarbamate 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 Allyl 1,1-dioxidotetrahydrothien-3-yldithiocarbamate?
The CAS number of Allyl 1,1-dioxidotetrahydrothien-3-yldithiocarbamate is 294668-88-5.
What is the molecular formula of Allyl 1,1-dioxidotetrahydrothien-3-yldithiocarbamate?
The molecular formula of Allyl 1,1-dioxidotetrahydrothien-3-yldithiocarbamate is C8H13NO2S3.
What is the molecular weight of Allyl 1,1-dioxidotetrahydrothien-3-yldithiocarbamate?
The molecular weight of Allyl 1,1-dioxidotetrahydrothien-3-yldithiocarbamate is 251.01 g/mol.
Where can I buy Allyl 1,1-dioxidotetrahydrothien-3-yldithiocarbamate?
You can request a quote for Allyl 1,1-dioxidotetrahydrothien-3-yldithiocarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allyl 1,1-dioxidotetrahydrothien-3-yldithiocarbamate?
Yes, KEHONG BIO provides custom synthesis services for Allyl 1,1-dioxidotetrahydrothien-3-yldithiocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.