Propyl 1,1-dioxidotetrahydrothien-3-yldithiocarbamate
TL;DR: Propyl 1,1-dioxidotetrahydrothien-3-yldithiocarbamate (CAS 302902-43-8) 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.
propyl N-(1,1-dioxothiolan-3-yl)carbamodithioate
Also Known As: BAS 00159001, propyl 1,1-dioxidotetrahydrothien-3-yldithiocarbamate, propyl N-(1,1-dioxothiolan-3-yl)carbamodithioate, propyl (1,1-dioxidotetrahydrothiophen-3-yl)carbamodithioate, 1-hydroxy-3-[(propylthiothioxomethyl)amino]thiolan-1-one
| Molecular Formula | C8H15NO2S3 |
|---|---|
| Molecular Weight | 253.03 g/mol |
| LogP | 1.1912 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 253.02649 |
| Heavy Atoms | 14 |
| Complexity | 299.70825 |
Chemical Identifiers
| CAS Number | 302902-43-8 |
|---|---|
| SMILES | CCCSC(=S)NC1CCS(=O)(=O)C1 |
Product Overview
Propyl 1,1-dioxidotetrahydrothien-3-yldithiocarbamate (CAS 302902-43-8), with molecular formula C8H15NO2S3 and molecular weight 253.03 g/mol. IUPAC: propyl N-(1,1-dioxothiolan-3-yl)carbamodithioate.
Chemical Property Profile of Propyl 1,1-dioxidotetrahydrothien-3-yldithiocarbamate
Property Insights of Propyl 1,1-dioxidotetrahydrothien-3-yldithiocarbamate
The XLogP value of 1.1912 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propyl 1,1-dioxidotetrahydrothien-3-yldithiocarbamate. With a topological polar surface area (TPSA) of 46.17 Ų, Propyl 1,1-dioxidotetrahydrothien-3-yldithiocarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propyl 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 Propyl 1,1-dioxidotetrahydrothien-3-yldithiocarbamate?
The CAS number of Propyl 1,1-dioxidotetrahydrothien-3-yldithiocarbamate is 302902-43-8.
What is the molecular formula of Propyl 1,1-dioxidotetrahydrothien-3-yldithiocarbamate?
The molecular formula of Propyl 1,1-dioxidotetrahydrothien-3-yldithiocarbamate is C8H15NO2S3.
What is the molecular weight of Propyl 1,1-dioxidotetrahydrothien-3-yldithiocarbamate?
The molecular weight of Propyl 1,1-dioxidotetrahydrothien-3-yldithiocarbamate is 253.03 g/mol.
Where can I buy Propyl 1,1-dioxidotetrahydrothien-3-yldithiocarbamate?
You can request a quote for Propyl 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 Propyl 1,1-dioxidotetrahydrothien-3-yldithiocarbamate?
Yes, KEHONG BIO provides custom synthesis services for Propyl 1,1-dioxidotetrahydrothien-3-yldithiocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.