1,1'-Thiobisethanethiol
TL;DR: 1,1'-Thiobisethanethiol (CAS 53897-59-9) is a chemical compound with molecular formula C4H10S3 and molecular weight 153.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-sulfanylethylsulfanyl)ethanethiol
Also Known As: 1,1'-Thiobisethanethiol, bis(1-mercaptoethyl) sulfide, 3-thia-2,4-pentanedithiol, bis-(1-mercaptoethyl) sulphide, 1,1a(2)-Thiobis[ethanethiol]
| Molecular Formula | C4H10S3 |
|---|---|
| Molecular Weight | 153.99 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 27.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 153.99446 |
| Heavy Atoms | 7 |
| Complexity | 40.0 |
Chemical Identifiers
| CAS Number | 53897-59-9 |
|---|---|
| SMILES | CC(S)SC(C)S |
| InChIKey | PAEMPWLDXSJQRU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1'-Thiobisethanethiol (CAS 53897-59-9), with molecular formula C4H10S3 and molecular weight 153.99 g/mol. IUPAC: 1-(1-sulfanylethylsulfanyl)ethanethiol.
Chemical Property Profile of 1,1'-Thiobisethanethiol
Property Insights of 1,1'-Thiobisethanethiol
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1'-Thiobisethanethiol. With a topological polar surface area (TPSA) of 27.3 Ų, 1,1'-Thiobisethanethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1'-Thiobisethanethiol has 2 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 1,1'-Thiobisethanethiol?
The CAS number of 1,1'-Thiobisethanethiol is 53897-59-9.
What is the molecular formula of 1,1'-Thiobisethanethiol?
The molecular formula of 1,1'-Thiobisethanethiol is C4H10S3.
What is the molecular weight of 1,1'-Thiobisethanethiol?
The molecular weight of 1,1'-Thiobisethanethiol is 153.99 g/mol.
Where can I buy 1,1'-Thiobisethanethiol?
You can request a quote for 1,1'-Thiobisethanethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-Thiobisethanethiol?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-Thiobisethanethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.