3',3',6',6'-Tetramethyl-1'-thia-cyclohepteno(4',5'-c)-1,2-dithiete
TL;DR: 3',3',6',6'-Tetramethyl-1'-thia-cyclohepteno(4',5'-c)-1,2-dithiete (CAS 72447-66-6) is a chemical compound with molecular formula C10H16S3 and molecular weight 232.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,6,6-tetramethyl-4,8,9-trithiabicyclo[5.2.0]non-1(7)-ene
Also Known As: 3',3',6',6'-Tetramethyl-1'-thia-cyclohepteno(4',5'-c)-1,2-dithiete, 2,2,6,6-tetramethyl-4,8,9-trithiabicyclo[5.2.0]non-1(7)-ene, 3',3',6',6'-Tetramethyl-1'-thia-cyclohepteno[4',5'-c]-1,2-dithiete, RefChem:269331
| Molecular Formula | C10H16S3 |
|---|---|
| Molecular Weight | 232.04 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 81.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 232.04141 |
| Heavy Atoms | 13 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 72447-66-6 |
|---|---|
| SMILES | CC1(CSCC(C2=C1SS2)(C)C)C |
| InChIKey | ALRPRXPTKAQOFP-UHFFFAOYSA-N |
Product Overview
3',3',6',6'-Tetramethyl-1'-thia-cyclohepteno(4',5'-c)-1,2-dithiete (CAS 72447-66-6), with molecular formula C10H16S3 and molecular weight 232.04 g/mol. IUPAC: 2,2,6,6-tetramethyl-4,8,9-trithiabicyclo[5.2.0]non-1(7)-ene.
Chemical Property Profile of 3',3',6',6'-Tetramethyl-1'-thia-cyclohepteno(4',5'-c)-1,2-dithiete
Property Insights of 3',3',6',6'-Tetramethyl-1'-thia-cyclohepteno(4',5'-c)-1,2-dithiete
The XLogP value of 3.4 indicates that 3',3',6',6'-Tetramethyl-1'-thia-cyclohepteno(4',5'-c)-1,2-dithiete is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3',3',6',6'-Tetramethyl-1'-thia-cyclohepteno(4',5'-c)-1,2-dithiete. Following Lipinski's Rule of Five, 3',3',6',6'-Tetramethyl-1'-thia-cyclohepteno(4',5'-c)-1,2-dithiete 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',3',6',6'-Tetramethyl-1'-thia-cyclohepteno(4',5'-c)-1,2-dithiete?
The CAS number of 3',3',6',6'-Tetramethyl-1'-thia-cyclohepteno(4',5'-c)-1,2-dithiete is 72447-66-6.
What is the molecular formula of 3',3',6',6'-Tetramethyl-1'-thia-cyclohepteno(4',5'-c)-1,2-dithiete?
The molecular formula of 3',3',6',6'-Tetramethyl-1'-thia-cyclohepteno(4',5'-c)-1,2-dithiete is C10H16S3.
What is the molecular weight of 3',3',6',6'-Tetramethyl-1'-thia-cyclohepteno(4',5'-c)-1,2-dithiete?
The molecular weight of 3',3',6',6'-Tetramethyl-1'-thia-cyclohepteno(4',5'-c)-1,2-dithiete is 232.04 g/mol.
Where can I buy 3',3',6',6'-Tetramethyl-1'-thia-cyclohepteno(4',5'-c)-1,2-dithiete?
You can request a quote for 3',3',6',6'-Tetramethyl-1'-thia-cyclohepteno(4',5'-c)-1,2-dithiete directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3',3',6',6'-Tetramethyl-1'-thia-cyclohepteno(4',5'-c)-1,2-dithiete?
Yes, KEHONG BIO provides custom synthesis services for 3',3',6',6'-Tetramethyl-1'-thia-cyclohepteno(4',5'-c)-1,2-dithiete and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.