![Acetonitrile, [(4,6-dimethyl-2-pyrimidinyl)thio]- structure](/static/products/1162/116248-36-3.webp)
Acetonitrile, [(4,6-dimethyl-2-pyrimidinyl)thio]-
TL;DR: Acetonitrile, [(4,6-dimethyl-2-pyrimidinyl)thio]- (CAS 116248-36-3) is a chemical compound with molecular formula C8H9N3S and molecular weight 179.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetonitrile
Also Known As: 3-Brom-pyrazolo<2,3-a>imidazolidin, Acetonitrile, [(4,6-dimethyl-2-pyrimidinyl)thio]-, 2-((4,6-Dimethylpyrimidin-2-yl)thio)acetonitrile, 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetonitrile, 4,6-dimethyl-2-cyanomethylthiopyrimidine
| Molecular Formula | C8H9N3S |
|---|---|
| Molecular Weight | 179.05 g/mol |
| LogP | 1.70912 |
| Topological Polar Surface Area | 49.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 179.05171 |
| Heavy Atoms | 12 |
| Complexity | 296.31927 |
Chemical Identifiers
| CAS Number | 116248-36-3 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SCC#N)C |
Product Overview
Acetonitrile, [(4,6-dimethyl-2-pyrimidinyl)thio]- (CAS 116248-36-3), with molecular formula C8H9N3S and molecular weight 179.05 g/mol. IUPAC: 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetonitrile.
Chemical Property Profile of Acetonitrile, [(4,6-dimethyl-2-pyrimidinyl)thio]-
Property Insights of Acetonitrile, [(4,6-dimethyl-2-pyrimidinyl)thio]-
The XLogP value of 1.70912 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetonitrile, [(4,6-dimethyl-2-pyrimidinyl)thio]-. With a topological polar surface area (TPSA) of 49.57 Ų, Acetonitrile, [(4,6-dimethyl-2-pyrimidinyl)thio]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetonitrile, [(4,6-dimethyl-2-pyrimidinyl)thio]- 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 Acetonitrile, [(4,6-dimethyl-2-pyrimidinyl)thio]-?
The CAS number of Acetonitrile, [(4,6-dimethyl-2-pyrimidinyl)thio]- is 116248-36-3.
What is the molecular formula of Acetonitrile, [(4,6-dimethyl-2-pyrimidinyl)thio]-?
The molecular formula of Acetonitrile, [(4,6-dimethyl-2-pyrimidinyl)thio]- is C8H9N3S.
What is the molecular weight of Acetonitrile, [(4,6-dimethyl-2-pyrimidinyl)thio]-?
The molecular weight of Acetonitrile, [(4,6-dimethyl-2-pyrimidinyl)thio]- is 179.05 g/mol.
Where can I buy Acetonitrile, [(4,6-dimethyl-2-pyrimidinyl)thio]-?
You can request a quote for Acetonitrile, [(4,6-dimethyl-2-pyrimidinyl)thio]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetonitrile, [(4,6-dimethyl-2-pyrimidinyl)thio]-?
Yes, KEHONG BIO provides custom synthesis services for Acetonitrile, [(4,6-dimethyl-2-pyrimidinyl)thio]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.