![5,5,7-Trimethyl-2-thioxo-5H-[1,3]dithiolo[4,5-b][1,4]dithiepin-6(7H)-one structure](/static/products/1621/162190-34-3.webp)
5,5,7-Trimethyl-2-thioxo-5H-[1,3]dithiolo[4,5-b][1,4]dithiepin-6(7H)-one
TL;DR: 5,5,7-Trimethyl-2-thioxo-5H-[1,3]dithiolo[4,5-b][1,4]dithiepin-6(7H)-one (CAS 162190-34-3) is a chemical compound with molecular formula C9H10OS5 and molecular weight 293.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5,7-trimethyl-2-sulfanylidene-[1,3]dithiolo[4,5-b][1,4]dithiepin-6-one
Also Known As: ChemDiv1_019427, BAS 00733194, 5,5,7-Trimethyl-2-thioxo-5H-[1,3]dithiolo[4,5-b][1,4]dithiepin-6(7H)-one, F0348-1948, 5,5,7-trimethyl-2-sulfanylidene-2H,5H,6H,7H-[1,3]dithiolo[4,5-b][1,4]dithiepin-6-one
| Molecular Formula | C9H10OS5 |
|---|---|
| Molecular Weight | 293.93 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 293.93353 |
| Heavy Atoms | 15 |
| Complexity | 371.0 |
Chemical Identifiers
| CAS Number | 162190-34-3 |
|---|---|
| SMILES | CC1C(=O)C(SC2=C(S1)SC(=S)S2)(C)C |
| InChIKey | NTVUHVCAQLEBKM-UHFFFAOYSA-N |
Product Overview
5,5,7-Trimethyl-2-thioxo-5H-[1,3]dithiolo[4,5-b][1,4]dithiepin-6(7H)-one (CAS 162190-34-3), with molecular formula C9H10OS5 and molecular weight 293.93 g/mol. IUPAC: 5,5,7-trimethyl-2-sulfanylidene-[1,3]dithiolo[4,5-b][1,4]dithiepin-6-one.
Chemical Property Profile of 5,5,7-Trimethyl-2-thioxo-5H-[1,3]dithiolo[4,5-b][1,4]dithiepin-6(7H)-one
Property Insights of 5,5,7-Trimethyl-2-thioxo-5H-[1,3]dithiolo[4,5-b][1,4]dithiepin-6(7H)-one
The XLogP value of 4.1 indicates that 5,5,7-Trimethyl-2-thioxo-5H-[1,3]dithiolo[4,5-b][1,4]dithiepin-6(7H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 150.0 Ų indicates high polarity, suggesting 5,5,7-Trimethyl-2-thioxo-5H-[1,3]dithiolo[4,5-b][1,4]dithiepin-6(7H)-one may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5,5,7-Trimethyl-2-thioxo-5H-[1,3]dithiolo[4,5-b][1,4]dithiepin-6(7H)-one has 0 hydrogen bond donor(s) and 6 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 5,5,7-Trimethyl-2-thioxo-5H-[1,3]dithiolo[4,5-b][1,4]dithiepin-6(7H)-one?
The CAS number of 5,5,7-Trimethyl-2-thioxo-5H-[1,3]dithiolo[4,5-b][1,4]dithiepin-6(7H)-one is 162190-34-3.
What is the molecular formula of 5,5,7-Trimethyl-2-thioxo-5H-[1,3]dithiolo[4,5-b][1,4]dithiepin-6(7H)-one?
The molecular formula of 5,5,7-Trimethyl-2-thioxo-5H-[1,3]dithiolo[4,5-b][1,4]dithiepin-6(7H)-one is C9H10OS5.
What is the molecular weight of 5,5,7-Trimethyl-2-thioxo-5H-[1,3]dithiolo[4,5-b][1,4]dithiepin-6(7H)-one?
The molecular weight of 5,5,7-Trimethyl-2-thioxo-5H-[1,3]dithiolo[4,5-b][1,4]dithiepin-6(7H)-one is 293.93 g/mol.
Where can I buy 5,5,7-Trimethyl-2-thioxo-5H-[1,3]dithiolo[4,5-b][1,4]dithiepin-6(7H)-one?
You can request a quote for 5,5,7-Trimethyl-2-thioxo-5H-[1,3]dithiolo[4,5-b][1,4]dithiepin-6(7H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,5,7-Trimethyl-2-thioxo-5H-[1,3]dithiolo[4,5-b][1,4]dithiepin-6(7H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5,5,7-Trimethyl-2-thioxo-5H-[1,3]dithiolo[4,5-b][1,4]dithiepin-6(7H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.