Monobutyl carbonotrithioate
TL;DR: Monobutyl carbonotrithioate (CAS 928-48-3) is a chemical compound with molecular formula C5H10S3 and molecular weight 165.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butylsulfanylmethanedithioic acid
Also Known As: Monobutyl carbonotrithioate, butyltrithiocarbonic acid, butylsulfanylmethanedithioic acid, NCIOpen2_006102, butyl sulfanylmethanedithioate
| Molecular Formula | C5H10S3 |
|---|---|
| Molecular Weight | 165.99 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 58.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 165.99446 |
| Heavy Atoms | 8 |
| Complexity | 70.0 |
Chemical Identifiers
| CAS Number | 928-48-3 |
|---|---|
| SMILES | CCCCSC(=S)S |
| InChIKey | QLTQROJDYKELLI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Monobutyl carbonotrithioate (CAS 928-48-3), with molecular formula C5H10S3 and molecular weight 165.99 g/mol. IUPAC: butylsulfanylmethanedithioic acid.
Chemical Property Profile of Monobutyl carbonotrithioate
Property Insights of Monobutyl carbonotrithioate
The XLogP value of 3.1 indicates that Monobutyl carbonotrithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.4 Ų, Monobutyl carbonotrithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Monobutyl carbonotrithioate has 1 hydrogen bond donor(s) and 3 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 Monobutyl carbonotrithioate?
The CAS number of Monobutyl carbonotrithioate is 928-48-3.
What is the molecular formula of Monobutyl carbonotrithioate?
The molecular formula of Monobutyl carbonotrithioate is C5H10S3.
What is the molecular weight of Monobutyl carbonotrithioate?
The molecular weight of Monobutyl carbonotrithioate is 165.99 g/mol.
Where can I buy Monobutyl carbonotrithioate?
You can request a quote for Monobutyl carbonotrithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Monobutyl carbonotrithioate?
Yes, KEHONG BIO provides custom synthesis services for Monobutyl carbonotrithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.