3-Methyl-1,4-dithiepan-2-one
TL;DR: 3-Methyl-1,4-dithiepan-2-one (CAS 72018-97-4) is a chemical compound with molecular formula C6H10OS2 and molecular weight 162.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1,4-dithiepan-2-one
Also Known As: 3-Methyl-1,4-dithiepan-2-one, 3-methyl-[1,4]dithiepan-2-one, 1,4-Dithiepan-2-one, 3-methyl-, 3-Methyl-1,4-dithiepan-2-one #
| Molecular Formula | C6H10OS2 |
|---|---|
| Molecular Weight | 162.02 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 67.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 162.0173 |
| Heavy Atoms | 9 |
| Complexity | 114.0 |
Chemical Identifiers
| CAS Number | 72018-97-4 |
|---|---|
| SMILES | CC1C(=O)SCCCS1 |
| InChIKey | WAYMFPHJPKUEGE-UHFFFAOYSA-N |
Product Overview
3-Methyl-1,4-dithiepan-2-one (CAS 72018-97-4), with molecular formula C6H10OS2 and molecular weight 162.02 g/mol. IUPAC: 3-methyl-1,4-dithiepan-2-one.
Chemical Property Profile of 3-Methyl-1,4-dithiepan-2-one
Property Insights of 3-Methyl-1,4-dithiepan-2-one
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-1,4-dithiepan-2-one. The TPSA of 67.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-1,4-dithiepan-2-one. Following Lipinski's Rule of Five, 3-Methyl-1,4-dithiepan-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 3-Methyl-1,4-dithiepan-2-one?
The CAS number of 3-Methyl-1,4-dithiepan-2-one is 72018-97-4.
What is the molecular formula of 3-Methyl-1,4-dithiepan-2-one?
The molecular formula of 3-Methyl-1,4-dithiepan-2-one is C6H10OS2.
What is the molecular weight of 3-Methyl-1,4-dithiepan-2-one?
The molecular weight of 3-Methyl-1,4-dithiepan-2-one is 162.02 g/mol.
Where can I buy 3-Methyl-1,4-dithiepan-2-one?
You can request a quote for 3-Methyl-1,4-dithiepan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-1,4-dithiepan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-1,4-dithiepan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.