1,3-Butadiene, 3-methyl-1,1-bis(methylthio)-
TL;DR: 1,3-Butadiene, 3-methyl-1,1-bis(methylthio)- (CAS 67945-63-5) is a chemical compound with molecular formula C7H12S2 and molecular weight 160.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1,1-bis(methylsulfanyl)buta-1,3-diene
Also Known As: 1,3-Butadiene, 3-methyl-1,1-bis(methylthio)-, 3-methyl-1,1-bis(methylsulfanyl)buta-1,3-diene, 3-Methyl-1,1-bis(methylsulfanyl)-1,3-butadiene, 3-methyl-1,1-bis(methylsulfanyl)-buta-1,3-diene, 3-Methyl-1,1-bis(methylsulfanyl)-1,3-butadiene #
| Molecular Formula | C7H12S2 |
|---|---|
| Molecular Weight | 160.04 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 160.03804 |
| Heavy Atoms | 9 |
| Complexity | 119.0 |
Chemical Identifiers
| CAS Number | 67945-63-5 |
|---|---|
| SMILES | CC(=C)C=C(SC)SC |
| InChIKey | TYQMFKAGKCGQKJ-UHFFFAOYSA-N |
Product Overview
1,3-Butadiene, 3-methyl-1,1-bis(methylthio)- (CAS 67945-63-5), with molecular formula C7H12S2 and molecular weight 160.04 g/mol. IUPAC: 3-methyl-1,1-bis(methylsulfanyl)buta-1,3-diene.
Chemical Property Profile of 1,3-Butadiene, 3-methyl-1,1-bis(methylthio)-
Property Insights of 1,3-Butadiene, 3-methyl-1,1-bis(methylthio)-
The XLogP value of 3.4 indicates that 1,3-Butadiene, 3-methyl-1,1-bis(methylthio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, 1,3-Butadiene, 3-methyl-1,1-bis(methylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Butadiene, 3-methyl-1,1-bis(methylthio)- 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 1,3-Butadiene, 3-methyl-1,1-bis(methylthio)-?
The CAS number of 1,3-Butadiene, 3-methyl-1,1-bis(methylthio)- is 67945-63-5.
What is the molecular formula of 1,3-Butadiene, 3-methyl-1,1-bis(methylthio)-?
The molecular formula of 1,3-Butadiene, 3-methyl-1,1-bis(methylthio)- is C7H12S2.
What is the molecular weight of 1,3-Butadiene, 3-methyl-1,1-bis(methylthio)-?
The molecular weight of 1,3-Butadiene, 3-methyl-1,1-bis(methylthio)- is 160.04 g/mol.
Where can I buy 1,3-Butadiene, 3-methyl-1,1-bis(methylthio)-?
You can request a quote for 1,3-Butadiene, 3-methyl-1,1-bis(methylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Butadiene, 3-methyl-1,1-bis(methylthio)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Butadiene, 3-methyl-1,1-bis(methylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.