3H-1,2-Dithiole-4-carbonitrile, 5-methyl-3-thioxo-
TL;DR: 3H-1,2-Dithiole-4-carbonitrile, 5-methyl-3-thioxo- (CAS 24045-79-2) is a chemical compound with molecular formula C5H3NS3 and molecular weight 172.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-5-sulfanylidenedithiole-4-carbonitrile
Also Known As: 3H-1,2-Dithiole-4-carbonitrile,5-methyl-3-thioxo-, 3H-1,2-Dithiole-4-carbonitrile, 5-methyl-3-thioxo-, 3-methyl-5-sulfanylidenedithiole-4-carbonitrile, 5-Methyl-3-sulfanylidene-3H-1,2-dithiole-4-carbonitrile
| Molecular Formula | C5H3NS3 |
|---|---|
| Molecular Weight | 172.94 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 172.94276 |
| Heavy Atoms | 9 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 24045-79-2 |
|---|---|
| SMILES | CC1=C(C(=S)SS1)C#N |
| InChIKey | KTVBKXXSYLZOSS-UHFFFAOYSA-N |
Product Overview
3H-1,2-Dithiole-4-carbonitrile, 5-methyl-3-thioxo- (CAS 24045-79-2), with molecular formula C5H3NS3 and molecular weight 172.94 g/mol. IUPAC: 3-methyl-5-sulfanylidenedithiole-4-carbonitrile.
Chemical Property Profile of 3H-1,2-Dithiole-4-carbonitrile, 5-methyl-3-thioxo-
Property Insights of 3H-1,2-Dithiole-4-carbonitrile, 5-methyl-3-thioxo-
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3H-1,2-Dithiole-4-carbonitrile, 5-methyl-3-thioxo-. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3H-1,2-Dithiole-4-carbonitrile, 5-methyl-3-thioxo-. Following Lipinski's Rule of Five, 3H-1,2-Dithiole-4-carbonitrile, 5-methyl-3-thioxo- 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 3H-1,2-Dithiole-4-carbonitrile, 5-methyl-3-thioxo-?
The CAS number of 3H-1,2-Dithiole-4-carbonitrile, 5-methyl-3-thioxo- is 24045-79-2.
What is the molecular formula of 3H-1,2-Dithiole-4-carbonitrile, 5-methyl-3-thioxo-?
The molecular formula of 3H-1,2-Dithiole-4-carbonitrile, 5-methyl-3-thioxo- is C5H3NS3.
What is the molecular weight of 3H-1,2-Dithiole-4-carbonitrile, 5-methyl-3-thioxo-?
The molecular weight of 3H-1,2-Dithiole-4-carbonitrile, 5-methyl-3-thioxo- is 172.94 g/mol.
Where can I buy 3H-1,2-Dithiole-4-carbonitrile, 5-methyl-3-thioxo-?
You can request a quote for 3H-1,2-Dithiole-4-carbonitrile, 5-methyl-3-thioxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-1,2-Dithiole-4-carbonitrile, 5-methyl-3-thioxo-?
Yes, KEHONG BIO provides custom synthesis services for 3H-1,2-Dithiole-4-carbonitrile, 5-methyl-3-thioxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.