Acetylene, 1,2-dithiomethyl-
TL;DR: Acetylene, 1,2-dithiomethyl- (CAS 93975-07-6) is a chemical compound with molecular formula C4H6S2 and molecular weight 117.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-bis(methylsulfanyl)ethyne
Also Known As: Bis(methylthio)ethyne, bis-methylthioethyne, CH3SC.equiv.CSCH3, Di(methylthio)acetylene, Acetylene, 1,2-dithiomethyl-
| Molecular Formula | C4H6S2 |
|---|---|
| Molecular Weight | 117.99 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 117.99109 |
| Heavy Atoms | 6 |
| Complexity | 66.0 |
Chemical Identifiers
| CAS Number | 93975-07-6 |
|---|---|
| SMILES | CSC#CSC |
| InChIKey | KSVSDVXENFYUCT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetylene, 1,2-dithiomethyl- (CAS 93975-07-6), with molecular formula C4H6S2 and molecular weight 117.99 g/mol. IUPAC: 1,2-bis(methylsulfanyl)ethyne.
Chemical Property Profile of Acetylene, 1,2-dithiomethyl-
Property Insights of Acetylene, 1,2-dithiomethyl-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetylene, 1,2-dithiomethyl-. With a topological polar surface area (TPSA) of 50.6 Ų, Acetylene, 1,2-dithiomethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetylene, 1,2-dithiomethyl- has 0 hydrogen bond donor(s) and 2 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 Acetylene, 1,2-dithiomethyl-?
The CAS number of Acetylene, 1,2-dithiomethyl- is 93975-07-6.
What is the molecular formula of Acetylene, 1,2-dithiomethyl-?
The molecular formula of Acetylene, 1,2-dithiomethyl- is C4H6S2.
What is the molecular weight of Acetylene, 1,2-dithiomethyl-?
The molecular weight of Acetylene, 1,2-dithiomethyl- is 117.99 g/mol.
Where can I buy Acetylene, 1,2-dithiomethyl-?
You can request a quote for Acetylene, 1,2-dithiomethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetylene, 1,2-dithiomethyl-?
Yes, KEHONG BIO provides custom synthesis services for Acetylene, 1,2-dithiomethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.