![3-Methyl-6-thia-1,4-diazabicyclo[3.3.0]octa-2,4-diene-2-carbonitrile structure](/static/products/832/83253-37-6.png)
3-Methyl-6-thia-1,4-diazabicyclo[3.3.0]octa-2,4-diene-2-carbonitrile
TL;DR: 3-Methyl-6-thia-1,4-diazabicyclo[3.3.0]octa-2,4-diene-2-carbonitrile (CAS 83253-37-6) is a chemical compound with molecular formula C7H7N3S and molecular weight 165.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carbonitrile
Also Known As: 6-methyl-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carbonitrile, 3-methyl-6-thia-1,4-diazabicyclo[3.3.0]octa-2,4-diene-2-carbonitrile
| Molecular Formula | C7H7N3S |
|---|---|
| Molecular Weight | 165.04 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 66.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 165.03607 |
| Heavy Atoms | 11 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 83253-37-6 |
|---|---|
| SMILES | CC1=C(N2CCSC2=N1)C#N |
| InChIKey | YZVQPOXQTBOFSJ-UHFFFAOYSA-N |
Product Overview
3-Methyl-6-thia-1,4-diazabicyclo[3.3.0]octa-2,4-diene-2-carbonitrile (CAS 83253-37-6), with molecular formula C7H7N3S and molecular weight 165.04 g/mol. IUPAC: 6-methyl-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carbonitrile.
Chemical Property Profile of 3-Methyl-6-thia-1,4-diazabicyclo[3.3.0]octa-2,4-diene-2-carbonitrile
Property Insights of 3-Methyl-6-thia-1,4-diazabicyclo[3.3.0]octa-2,4-diene-2-carbonitrile
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-6-thia-1,4-diazabicyclo[3.3.0]octa-2,4-diene-2-carbonitrile. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-6-thia-1,4-diazabicyclo[3.3.0]octa-2,4-diene-2-carbonitrile. Following Lipinski's Rule of Five, 3-Methyl-6-thia-1,4-diazabicyclo[3.3.0]octa-2,4-diene-2-carbonitrile 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-Methyl-6-thia-1,4-diazabicyclo[3.3.0]octa-2,4-diene-2-carbonitrile?
The CAS number of 3-Methyl-6-thia-1,4-diazabicyclo[3.3.0]octa-2,4-diene-2-carbonitrile is 83253-37-6.
What is the molecular formula of 3-Methyl-6-thia-1,4-diazabicyclo[3.3.0]octa-2,4-diene-2-carbonitrile?
The molecular formula of 3-Methyl-6-thia-1,4-diazabicyclo[3.3.0]octa-2,4-diene-2-carbonitrile is C7H7N3S.
What is the molecular weight of 3-Methyl-6-thia-1,4-diazabicyclo[3.3.0]octa-2,4-diene-2-carbonitrile?
The molecular weight of 3-Methyl-6-thia-1,4-diazabicyclo[3.3.0]octa-2,4-diene-2-carbonitrile is 165.04 g/mol.
Where can I buy 3-Methyl-6-thia-1,4-diazabicyclo[3.3.0]octa-2,4-diene-2-carbonitrile?
You can request a quote for 3-Methyl-6-thia-1,4-diazabicyclo[3.3.0]octa-2,4-diene-2-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-6-thia-1,4-diazabicyclo[3.3.0]octa-2,4-diene-2-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-6-thia-1,4-diazabicyclo[3.3.0]octa-2,4-diene-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.