1-Propan-2-yl-2-sulfanylidenepyridine-3-carbonitrile
TL;DR: 1-Propan-2-yl-2-sulfanylidenepyridine-3-carbonitrile (CAS 91540-50-0) is a chemical compound with molecular formula C9H10N2S and molecular weight 178.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-propan-2-yl-2-sulfanylidenepyridine-3-carbonitrile
Also Known As: 1-propan-2-yl-2-sulfanylidenepyridine-3-carbonitrile, 1-(Propan-2-yl)-2-sulfanylidene-1,2-dihydropyridine-3-carbonitrile
| Molecular Formula | C9H10N2S |
|---|---|
| Molecular Weight | 178.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 59.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 178.05647 |
| Heavy Atoms | 12 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 91540-50-0 |
|---|---|
| SMILES | CC(C)N1C=CC=C(C1=S)C#N |
| InChIKey | OTZSVAGTKRNRGF-UHFFFAOYSA-N |
Product Overview
1-Propan-2-yl-2-sulfanylidenepyridine-3-carbonitrile (CAS 91540-50-0), with molecular formula C9H10N2S and molecular weight 178.06 g/mol. IUPAC: 1-propan-2-yl-2-sulfanylidenepyridine-3-carbonitrile.
Chemical Property Profile of 1-Propan-2-yl-2-sulfanylidenepyridine-3-carbonitrile
Property Insights of 1-Propan-2-yl-2-sulfanylidenepyridine-3-carbonitrile
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Propan-2-yl-2-sulfanylidenepyridine-3-carbonitrile. With a topological polar surface area (TPSA) of 59.1 Ų, 1-Propan-2-yl-2-sulfanylidenepyridine-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Propan-2-yl-2-sulfanylidenepyridine-3-carbonitrile has 0 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 1-Propan-2-yl-2-sulfanylidenepyridine-3-carbonitrile?
The CAS number of 1-Propan-2-yl-2-sulfanylidenepyridine-3-carbonitrile is 91540-50-0.
What is the molecular formula of 1-Propan-2-yl-2-sulfanylidenepyridine-3-carbonitrile?
The molecular formula of 1-Propan-2-yl-2-sulfanylidenepyridine-3-carbonitrile is C9H10N2S.
What is the molecular weight of 1-Propan-2-yl-2-sulfanylidenepyridine-3-carbonitrile?
The molecular weight of 1-Propan-2-yl-2-sulfanylidenepyridine-3-carbonitrile is 178.06 g/mol.
Where can I buy 1-Propan-2-yl-2-sulfanylidenepyridine-3-carbonitrile?
You can request a quote for 1-Propan-2-yl-2-sulfanylidenepyridine-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Propan-2-yl-2-sulfanylidenepyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-Propan-2-yl-2-sulfanylidenepyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.