![1,3-Bis[(4-methylphenyl)sulfanyl]propan-2-one structure](/static/products/2799/27997-96-2.webp)
1,3-Bis[(4-methylphenyl)sulfanyl]propan-2-one
TL;DR: 1,3-Bis[(4-methylphenyl)sulfanyl]propan-2-one (CAS 27997-96-2) is a chemical compound with molecular formula C17H18OS2 and molecular weight 302.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis[(4-methylphenyl)sulfanyl]propan-2-one
Also Known As: 1,3-bis[(4-methylphenyl)sulfanyl]acetone, 1,3-bis[(4-methylphenyl)sulfanyl]propan-2-one, 1,3-bis(p-tolylsulfanyl)propan-2-one, 3H-462S
| Molecular Formula | C17H18OS2 |
|---|---|
| Molecular Weight | 302.08 g/mol |
| LogP | 4.75694 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 302.0799 |
| Heavy Atoms | 20 |
| Complexity | 507.0488 |
Chemical Identifiers
| CAS Number | 27997-96-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCC(=O)CSC2=CC=C(C=C2)C |
Product Overview
1,3-Bis[(4-methylphenyl)sulfanyl]propan-2-one (CAS 27997-96-2), with molecular formula C17H18OS2 and molecular weight 302.08 g/mol. IUPAC: 1,3-bis[(4-methylphenyl)sulfanyl]propan-2-one.
Chemical Property Profile of 1,3-Bis[(4-methylphenyl)sulfanyl]propan-2-one
Property Insights of 1,3-Bis[(4-methylphenyl)sulfanyl]propan-2-one
The XLogP value of 4.75694 indicates that 1,3-Bis[(4-methylphenyl)sulfanyl]propan-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 1,3-Bis[(4-methylphenyl)sulfanyl]propan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Bis[(4-methylphenyl)sulfanyl]propan-2-one has 0 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 1,3-Bis[(4-methylphenyl)sulfanyl]propan-2-one?
The CAS number of 1,3-Bis[(4-methylphenyl)sulfanyl]propan-2-one is 27997-96-2.
What is the molecular formula of 1,3-Bis[(4-methylphenyl)sulfanyl]propan-2-one?
The molecular formula of 1,3-Bis[(4-methylphenyl)sulfanyl]propan-2-one is C17H18OS2.
What is the molecular weight of 1,3-Bis[(4-methylphenyl)sulfanyl]propan-2-one?
The molecular weight of 1,3-Bis[(4-methylphenyl)sulfanyl]propan-2-one is 302.08 g/mol.
Where can I buy 1,3-Bis[(4-methylphenyl)sulfanyl]propan-2-one?
You can request a quote for 1,3-Bis[(4-methylphenyl)sulfanyl]propan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Bis[(4-methylphenyl)sulfanyl]propan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Bis[(4-methylphenyl)sulfanyl]propan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.