2,2-Bis(sulfanylmethyl)propane-1,3-dithiol
TL;DR: 2,2-Bis(sulfanylmethyl)propane-1,3-dithiol (CAS 4720-60-9) is a chemical compound with molecular formula C5H12S4 and molecular weight 199.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-bis(sulfanylmethyl)propane-1,3-dithiol
Also Known As: pentaerythrityl tetrathiol, 2,2-bis(sulfanylmethyl)propane-1,3-dithiol, Tetrathiopentaerythrit, PentaerythritylTetrathiol, tetrakis(mercaptomethyl)methane
| Molecular Formula | C5H12S4 |
|---|---|
| Molecular Weight | 199.98 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 4.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 199.98218 |
| Heavy Atoms | 9 |
| Complexity | 51.0 |
Chemical Identifiers
| CAS Number | 4720-60-9 |
|---|---|
| SMILES | C(C(CS)(CS)CS)S |
| InChIKey | MTZVWTOVHGKLOX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-Bis(sulfanylmethyl)propane-1,3-dithiol (CAS 4720-60-9), with molecular formula C5H12S4 and molecular weight 199.98 g/mol. IUPAC: 2,2-bis(sulfanylmethyl)propane-1,3-dithiol.
Chemical Property Profile of 2,2-Bis(sulfanylmethyl)propane-1,3-dithiol
Property Insights of 2,2-Bis(sulfanylmethyl)propane-1,3-dithiol
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Bis(sulfanylmethyl)propane-1,3-dithiol. With a topological polar surface area (TPSA) of 4.0 Ų, 2,2-Bis(sulfanylmethyl)propane-1,3-dithiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Bis(sulfanylmethyl)propane-1,3-dithiol has 4 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 2,2-Bis(sulfanylmethyl)propane-1,3-dithiol?
The CAS number of 2,2-Bis(sulfanylmethyl)propane-1,3-dithiol is 4720-60-9.
What is the molecular formula of 2,2-Bis(sulfanylmethyl)propane-1,3-dithiol?
The molecular formula of 2,2-Bis(sulfanylmethyl)propane-1,3-dithiol is C5H12S4.
What is the molecular weight of 2,2-Bis(sulfanylmethyl)propane-1,3-dithiol?
The molecular weight of 2,2-Bis(sulfanylmethyl)propane-1,3-dithiol is 199.98 g/mol.
Where can I buy 2,2-Bis(sulfanylmethyl)propane-1,3-dithiol?
You can request a quote for 2,2-Bis(sulfanylmethyl)propane-1,3-dithiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Bis(sulfanylmethyl)propane-1,3-dithiol?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Bis(sulfanylmethyl)propane-1,3-dithiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.