1,2,3-Trithiane, 5,5-dimethyl-
TL;DR: 1,2,3-Trithiane, 5,5-dimethyl- (CAS 13005-81-7) is a chemical compound with molecular formula C5H10S3 and molecular weight 165.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-dimethyltrithiane
Also Known As: 5,5-dimethyltrithiane, 1,2,3-Trithiane, 5,5-dimethyl-, 5,5-dimethyl-1,2,3-trithiane, Dimethyltrithian,5,5-Dimethyl-1,2,3-trithian
| Molecular Formula | C5H10S3 |
|---|---|
| Molecular Weight | 165.99 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 75.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 165.99446 |
| Heavy Atoms | 8 |
| Complexity | 71.0 |
Chemical Identifiers
| CAS Number | 13005-81-7 |
|---|---|
| SMILES | CC1(CSSSC1)C |
| InChIKey | RUQATUNWBNKIMK-UHFFFAOYSA-N |
Product Overview
1,2,3-Trithiane, 5,5-dimethyl- (CAS 13005-81-7), with molecular formula C5H10S3 and molecular weight 165.99 g/mol. IUPAC: 5,5-dimethyltrithiane.
Chemical Property Profile of 1,2,3-Trithiane, 5,5-dimethyl-
Property Insights of 1,2,3-Trithiane, 5,5-dimethyl-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3-Trithiane, 5,5-dimethyl-. The TPSA of 75.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,3-Trithiane, 5,5-dimethyl-. Following Lipinski's Rule of Five, 1,2,3-Trithiane, 5,5-dimethyl- 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 1,2,3-Trithiane, 5,5-dimethyl-?
The CAS number of 1,2,3-Trithiane, 5,5-dimethyl- is 13005-81-7.
What is the molecular formula of 1,2,3-Trithiane, 5,5-dimethyl-?
The molecular formula of 1,2,3-Trithiane, 5,5-dimethyl- is C5H10S3.
What is the molecular weight of 1,2,3-Trithiane, 5,5-dimethyl-?
The molecular weight of 1,2,3-Trithiane, 5,5-dimethyl- is 165.99 g/mol.
Where can I buy 1,2,3-Trithiane, 5,5-dimethyl-?
You can request a quote for 1,2,3-Trithiane, 5,5-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3-Trithiane, 5,5-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3-Trithiane, 5,5-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.