4-Imino-6-thioxo-1,4,6,7-tetrahydropyrazolo(3,4-d)(1,3)thiazine-3-carbonitrile
TL;DR: 4-Imino-6-thioxo-1,4,6,7-tetrahydropyrazolo(3,4-d)(1,3)thiazine-3-carbonitrile (CAS 73236-29-0) is a chemical compound with molecular formula C6H3N5S2 and molecular weight 208.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-6-sulfanylidene-1H-pyrazolo[3,4-d][1,3]thiazine-3-carbonitrile
Also Known As: 4-Imino-6-thioxo-1,4,6,7-tetrahydropyrazolo(3,4-d)(1,3)thiazine-3-carbonitrile, 4-amino-6-sulfanylidene-1H-pyrazolo[3,4-d][1,3]thiazine-3-ca, 4-amino-6-sulfanylidene-1H-pyrazolo[3,4-d][1,3]thiazine-3-carbonitrile, 4-imino-6-thioxo-1,7-dihydropyrazolo[3,4-d][1,3]thiazine-3-carbonitrile, 4-Imino-6-thioxo-1,4,6,7-tetrahydropyrazolo[3,4-d][1,3]thiazine-3-carbonitrile
| Molecular Formula | C6H3N5S2 |
|---|---|
| Molecular Weight | 208.98 g/mol |
| LogP | 1.20277 |
| Topological Polar Surface Area | 91.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 208.98299 |
| Heavy Atoms | 13 |
| Complexity | 560.3888 |
Chemical Identifiers
| CAS Number | 73236-29-0 |
|---|---|
| SMILES | C(#N)C1=NNC2=NC(=S)SC(=C12)N |
Product Overview
4-Imino-6-thioxo-1,4,6,7-tetrahydropyrazolo(3,4-d)(1,3)thiazine-3-carbonitrile (CAS 73236-29-0), with molecular formula C6H3N5S2 and molecular weight 208.98 g/mol. IUPAC: 4-amino-6-sulfanylidene-1H-pyrazolo[3,4-d][1,3]thiazine-3-carbonitrile.
Chemical Property Profile of 4-Imino-6-thioxo-1,4,6,7-tetrahydropyrazolo(3,4-d)(1,3)thiazine-3-carbonitrile
Property Insights of 4-Imino-6-thioxo-1,4,6,7-tetrahydropyrazolo(3,4-d)(1,3)thiazine-3-carbonitrile
The XLogP value of 1.20277 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Imino-6-thioxo-1,4,6,7-tetrahydropyrazolo(3,4-d)(1,3)thiazine-3-carbonitrile. The TPSA of 91.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Imino-6-thioxo-1,4,6,7-tetrahydropyrazolo(3,4-d)(1,3)thiazine-3-carbonitrile. Following Lipinski's Rule of Five, 4-Imino-6-thioxo-1,4,6,7-tetrahydropyrazolo(3,4-d)(1,3)thiazine-3-carbonitrile has 2 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 4-Imino-6-thioxo-1,4,6,7-tetrahydropyrazolo(3,4-d)(1,3)thiazine-3-carbonitrile?
The CAS number of 4-Imino-6-thioxo-1,4,6,7-tetrahydropyrazolo(3,4-d)(1,3)thiazine-3-carbonitrile is 73236-29-0.
What is the molecular formula of 4-Imino-6-thioxo-1,4,6,7-tetrahydropyrazolo(3,4-d)(1,3)thiazine-3-carbonitrile?
The molecular formula of 4-Imino-6-thioxo-1,4,6,7-tetrahydropyrazolo(3,4-d)(1,3)thiazine-3-carbonitrile is C6H3N5S2.
What is the molecular weight of 4-Imino-6-thioxo-1,4,6,7-tetrahydropyrazolo(3,4-d)(1,3)thiazine-3-carbonitrile?
The molecular weight of 4-Imino-6-thioxo-1,4,6,7-tetrahydropyrazolo(3,4-d)(1,3)thiazine-3-carbonitrile is 208.98 g/mol.
Where can I buy 4-Imino-6-thioxo-1,4,6,7-tetrahydropyrazolo(3,4-d)(1,3)thiazine-3-carbonitrile?
You can request a quote for 4-Imino-6-thioxo-1,4,6,7-tetrahydropyrazolo(3,4-d)(1,3)thiazine-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Imino-6-thioxo-1,4,6,7-tetrahydropyrazolo(3,4-d)(1,3)thiazine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Imino-6-thioxo-1,4,6,7-tetrahydropyrazolo(3,4-d)(1,3)thiazine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.