3a,7a-Dithia-1,3,4,6-tetraazapentalene, 2,5-bis(dimethylamino)-
TL;DR: 3a,7a-Dithia-1,3,4,6-tetraazapentalene, 2,5-bis(dimethylamino)- (CAS 89909-07-9) is a chemical compound with molecular formula C6H12N6S2 and molecular weight 232.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-N,3-N,7-N,7-N-tetramethyl-1λ4,5λ4-dithia-2,4,6,8-tetrazabicyclo[3.3.0]octa-1,3,5,7-tetraene-3,7-diamine
Also Known As: 3-N,3-N,7-N,7-N-tetramethyl-1, 3a,7a-Dithia-1,3,4,6-tetraazapentalene, 2,5-bis(dimethylamino)-, N~2~,N~2~,N~6~,N~6~-Tetramethyl-4lambda~4~,8lambda~4~-[1,2,3,5]dithiadiazolo[1,2-a][1,2,3,5]dithiadiazole-2,6-diamine
| Molecular Formula | C6H12N6S2 |
|---|---|
| Molecular Weight | 232.06 g/mol |
| LogP | 0.1976 |
| Topological Polar Surface Area | 94.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 232.05649 |
| Heavy Atoms | 14 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 89909-07-9 |
|---|---|
| SMILES | CN(C)C1=NS2=NC(=NS2=N1)N(C)C |
| InChIKey | SWZZJCHKOSLZLW-UHFFFAOYSA-N |
Product Overview
3a,7a-Dithia-1,3,4,6-tetraazapentalene, 2,5-bis(dimethylamino)- (CAS 89909-07-9), with molecular formula C6H12N6S2 and molecular weight 232.06 g/mol. IUPAC: 3-N,3-N,7-N,7-N-tetramethyl-1λ4,5λ4-dithia-2,4,6,8-tetrazabicyclo[3.3.0]octa-1,3,5,7-tetraene-3,7-diamine.
Chemical Property Profile of 3a,7a-Dithia-1,3,4,6-tetraazapentalene, 2,5-bis(dimethylamino)-
Property Insights of 3a,7a-Dithia-1,3,4,6-tetraazapentalene, 2,5-bis(dimethylamino)-
The XLogP value of 0.1976 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3a,7a-Dithia-1,3,4,6-tetraazapentalene, 2,5-bis(dimethylamino)-. The TPSA of 94.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3a,7a-Dithia-1,3,4,6-tetraazapentalene, 2,5-bis(dimethylamino)-. Following Lipinski's Rule of Five, 3a,7a-Dithia-1,3,4,6-tetraazapentalene, 2,5-bis(dimethylamino)- has 0 hydrogen bond donor(s) and 4 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 3a,7a-Dithia-1,3,4,6-tetraazapentalene, 2,5-bis(dimethylamino)-?
The CAS number of 3a,7a-Dithia-1,3,4,6-tetraazapentalene, 2,5-bis(dimethylamino)- is 89909-07-9.
What is the molecular formula of 3a,7a-Dithia-1,3,4,6-tetraazapentalene, 2,5-bis(dimethylamino)-?
The molecular formula of 3a,7a-Dithia-1,3,4,6-tetraazapentalene, 2,5-bis(dimethylamino)- is C6H12N6S2.
What is the molecular weight of 3a,7a-Dithia-1,3,4,6-tetraazapentalene, 2,5-bis(dimethylamino)-?
The molecular weight of 3a,7a-Dithia-1,3,4,6-tetraazapentalene, 2,5-bis(dimethylamino)- is 232.06 g/mol.
Where can I buy 3a,7a-Dithia-1,3,4,6-tetraazapentalene, 2,5-bis(dimethylamino)-?
You can request a quote for 3a,7a-Dithia-1,3,4,6-tetraazapentalene, 2,5-bis(dimethylamino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3a,7a-Dithia-1,3,4,6-tetraazapentalene, 2,5-bis(dimethylamino)-?
Yes, KEHONG BIO provides custom synthesis services for 3a,7a-Dithia-1,3,4,6-tetraazapentalene, 2,5-bis(dimethylamino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.