Monoisopropyl carbonotrithioate
TL;DR: Monoisopropyl carbonotrithioate (CAS 68060-08-2) is a chemical compound with molecular formula C4H8S3 and molecular weight 151.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-ylsulfanylmethanedithioic acid
Also Known As: Monoisopropyl carbonotrithioate, Isopropyl hydrogen trithiocarbonate, 3-Methyl-2-thiabutanedithioic acid, propan-2-yl sulfanylmethanedithioate, Trithiocarbonic acid isopropyl ester
| Molecular Formula | C4H8S3 |
|---|---|
| Molecular Weight | 151.98 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 58.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 151.97882 |
| Heavy Atoms | 7 |
| Complexity | 67.0 |
Chemical Identifiers
| CAS Number | 68060-08-2 |
|---|---|
| SMILES | CC(C)SC(=S)S |
| InChIKey | GLOVATMIGIZWKP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Monoisopropyl carbonotrithioate (CAS 68060-08-2), with molecular formula C4H8S3 and molecular weight 151.98 g/mol. IUPAC: propan-2-ylsulfanylmethanedithioic acid.
Chemical Property Profile of Monoisopropyl carbonotrithioate
Property Insights of Monoisopropyl carbonotrithioate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Monoisopropyl carbonotrithioate. With a topological polar surface area (TPSA) of 58.4 Ų, Monoisopropyl carbonotrithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Monoisopropyl 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 Monoisopropyl carbonotrithioate?
The CAS number of Monoisopropyl carbonotrithioate is 68060-08-2.
What is the molecular formula of Monoisopropyl carbonotrithioate?
The molecular formula of Monoisopropyl carbonotrithioate is C4H8S3.
What is the molecular weight of Monoisopropyl carbonotrithioate?
The molecular weight of Monoisopropyl carbonotrithioate is 151.98 g/mol.
Where can I buy Monoisopropyl carbonotrithioate?
You can request a quote for Monoisopropyl carbonotrithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Monoisopropyl carbonotrithioate?
Yes, KEHONG BIO provides custom synthesis services for Monoisopropyl carbonotrithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.