(1,2)Dithiolo(1,5-b)(1,2)dithiole-7-s(iv), 2-methyl-
TL;DR: (1,2)Dithiolo(1,5-b)(1,2)dithiole-7-s(iv), 2-methyl- (CAS 20718-55-2) is a chemical compound with molecular formula C6H6S3 and molecular weight 173.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1λ4,2,8-trithiabicyclo[3.3.0]octa-1(5),3,6-triene
Also Known As: 3-methyl-1, (1,2)Dithiolo(1,5-b)(1,2)dithiole-7-s(iv), 2-methyl-, [1,2]Dithiolo[1,5-b][1,2]dithiole-7-S(IV),2-methyl-, 2-Methyl[1,2]dithiolo[1,5-b][1,2]dithiol-7-SIV, 2-methyl-7lambda4-[1,2]dithiolo[5,1-e][1,2]dithiole
| Molecular Formula | C6H6S3 |
|---|---|
| Molecular Weight | 173.96 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 69.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 173.96317 |
| Heavy Atoms | 9 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 20718-55-2 |
|---|---|
| SMILES | CC1=CC2=S(S1)SC=C2 |
| InChIKey | ALYISDDUYGJUJL-UHFFFAOYSA-N |
Product Overview
(1,2)Dithiolo(1,5-b)(1,2)dithiole-7-s(iv), 2-methyl- (CAS 20718-55-2), with molecular formula C6H6S3 and molecular weight 173.96 g/mol. IUPAC: 3-methyl-1λ4,2,8-trithiabicyclo[3.3.0]octa-1(5),3,6-triene.
Chemical Property Profile of (1,2)Dithiolo(1,5-b)(1,2)dithiole-7-s(iv), 2-methyl-
Property Insights of (1,2)Dithiolo(1,5-b)(1,2)dithiole-7-s(iv), 2-methyl-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1,2)Dithiolo(1,5-b)(1,2)dithiole-7-s(iv), 2-methyl-. The TPSA of 69.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (1,2)Dithiolo(1,5-b)(1,2)dithiole-7-s(iv), 2-methyl-. Following Lipinski's Rule of Five, (1,2)Dithiolo(1,5-b)(1,2)dithiole-7-s(iv), 2-methyl- 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)Dithiolo(1,5-b)(1,2)dithiole-7-s(iv), 2-methyl-?
The CAS number of (1,2)Dithiolo(1,5-b)(1,2)dithiole-7-s(iv), 2-methyl- is 20718-55-2.
What is the molecular formula of (1,2)Dithiolo(1,5-b)(1,2)dithiole-7-s(iv), 2-methyl-?
The molecular formula of (1,2)Dithiolo(1,5-b)(1,2)dithiole-7-s(iv), 2-methyl- is C6H6S3.
What is the molecular weight of (1,2)Dithiolo(1,5-b)(1,2)dithiole-7-s(iv), 2-methyl-?
The molecular weight of (1,2)Dithiolo(1,5-b)(1,2)dithiole-7-s(iv), 2-methyl- is 173.96 g/mol.
Where can I buy (1,2)Dithiolo(1,5-b)(1,2)dithiole-7-s(iv), 2-methyl-?
You can request a quote for (1,2)Dithiolo(1,5-b)(1,2)dithiole-7-s(iv), 2-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1,2)Dithiolo(1,5-b)(1,2)dithiole-7-s(iv), 2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for (1,2)Dithiolo(1,5-b)(1,2)dithiole-7-s(iv), 2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.