Nicotinonitrile, 2-mercapto-5,6-dimethyl-
TL;DR: Nicotinonitrile, 2-mercapto-5,6-dimethyl- (CAS 89977-35-5) is a chemical compound with molecular formula C8H8N2S and molecular weight 164.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
Also Known As: Nicotinonitrile, 2-mercapto-5,6-dimethyl-, 5,6-dimethyl-2-mercaptonicotine nitrile, 5,6-dimethyl-2-mercapto-nicotine nitrile, J1.226.590E, 5,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
| Molecular Formula | C8H8N2S |
|---|---|
| Molecular Weight | 164.04 g/mol |
| LogP | 2.23271 |
| Topological Polar Surface Area | 39.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 164.04082 |
| Heavy Atoms | 11 |
| Complexity | 370.65894 |
Chemical Identifiers
| CAS Number | 89977-35-5 |
|---|---|
| SMILES | CC1=C(NC(=S)C(=C1)C#N)C |
Product Overview
Nicotinonitrile, 2-mercapto-5,6-dimethyl- (CAS 89977-35-5), with molecular formula C8H8N2S and molecular weight 164.04 g/mol. IUPAC: 5,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carbonitrile.
Chemical Property Profile of Nicotinonitrile, 2-mercapto-5,6-dimethyl-
Property Insights of Nicotinonitrile, 2-mercapto-5,6-dimethyl-
The XLogP value of 2.23271 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nicotinonitrile, 2-mercapto-5,6-dimethyl-. With a topological polar surface area (TPSA) of 39.58 Ų, Nicotinonitrile, 2-mercapto-5,6-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nicotinonitrile, 2-mercapto-5,6-dimethyl- has 1 hydrogen bond donor(s) and 2 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 Nicotinonitrile, 2-mercapto-5,6-dimethyl-?
The CAS number of Nicotinonitrile, 2-mercapto-5,6-dimethyl- is 89977-35-5.
What is the molecular formula of Nicotinonitrile, 2-mercapto-5,6-dimethyl-?
The molecular formula of Nicotinonitrile, 2-mercapto-5,6-dimethyl- is C8H8N2S.
What is the molecular weight of Nicotinonitrile, 2-mercapto-5,6-dimethyl-?
The molecular weight of Nicotinonitrile, 2-mercapto-5,6-dimethyl- is 164.04 g/mol.
Where can I buy Nicotinonitrile, 2-mercapto-5,6-dimethyl-?
You can request a quote for Nicotinonitrile, 2-mercapto-5,6-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nicotinonitrile, 2-mercapto-5,6-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Nicotinonitrile, 2-mercapto-5,6-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.