Buta-1,3-dien-2-yl(phenyl)sulfane
TL;DR: Buta-1,3-dien-2-yl(phenyl)sulfane (CAS 7326-64-9) is a chemical compound with molecular formula C10H10S and molecular weight 162.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
buta-1,3-dien-2-ylsulfanylbenzene
Also Known As: Buta-1,3-dien-2-ylsulfanylbenzene, 2-(Phenylthio)-1,3-butadiene, Buta-1,3-dien-2-yl(phenyl)sulfane, (1-Methylen-allyl)-phenyl-sulfid, [(1-methylene-2-propenyl)thio]benzene
| Molecular Formula | C10H10S |
|---|---|
| Molecular Weight | 162.05 g/mol |
| LogP | 3.4784 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 162.05032 |
| Heavy Atoms | 11 |
| Complexity | 248.8351 |
Chemical Identifiers
| CAS Number | 7326-64-9 |
|---|---|
| SMILES | C=CC(=C)SC1=CC=CC=C1 |
Product Overview
Buta-1,3-dien-2-yl(phenyl)sulfane (CAS 7326-64-9), with molecular formula C10H10S and molecular weight 162.05 g/mol. IUPAC: buta-1,3-dien-2-ylsulfanylbenzene.
Chemical Property Profile of Buta-1,3-dien-2-yl(phenyl)sulfane
Property Insights of Buta-1,3-dien-2-yl(phenyl)sulfane
The XLogP value of 3.4784 indicates that Buta-1,3-dien-2-yl(phenyl)sulfane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Buta-1,3-dien-2-yl(phenyl)sulfane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Buta-1,3-dien-2-yl(phenyl)sulfane has 0 hydrogen bond donor(s) and 1 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 Buta-1,3-dien-2-yl(phenyl)sulfane?
The CAS number of Buta-1,3-dien-2-yl(phenyl)sulfane is 7326-64-9.
What is the molecular formula of Buta-1,3-dien-2-yl(phenyl)sulfane?
The molecular formula of Buta-1,3-dien-2-yl(phenyl)sulfane is C10H10S.
What is the molecular weight of Buta-1,3-dien-2-yl(phenyl)sulfane?
The molecular weight of Buta-1,3-dien-2-yl(phenyl)sulfane is 162.05 g/mol.
Where can I buy Buta-1,3-dien-2-yl(phenyl)sulfane?
You can request a quote for Buta-1,3-dien-2-yl(phenyl)sulfane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Buta-1,3-dien-2-yl(phenyl)sulfane?
Yes, KEHONG BIO provides custom synthesis services for Buta-1,3-dien-2-yl(phenyl)sulfane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.