![2-[(dimethylamino)({[5-(trifluoromethyl)pyridin-2-yl]sulfanyl})methylidene]propanedinitrile structure](/static/products/3390/339022-95-6.webp)
2-[(dimethylamino)({[5-(trifluoromethyl)pyridin-2-yl]sulfanyl})methylidene]propanedinitrile
TL;DR: 2-[(dimethylamino)({[5-(trifluoromethyl)pyridin-2-yl]sulfanyl})methylidene]propanedinitrile (CAS 339022-95-6) is a chemical compound with molecular formula C12H9F3N4S and molecular weight 298.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[dimethylamino-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]methylidene]propanedinitrile
Also Known As: 2-[(dimethylamino)({[5-(trifluoromethyl)pyridin-2-yl]sulfanyl})methylidene]propanedinitrile, 8D-092, 2-((dimethylamino){[5-(trifluoromethyl)-2-pyridinyl]sulfanyl}methylene)malononitrile, 2-((Dimethylamino)((5-(trifluoromethyl)-2-pyridinyl)sulfanyl)methylene)malononitrile, 2-[dimethylamino-[5-(trifluoromethyl)pyridin-2-yl]sulfanylmethylidene]propanedinitrile
| Molecular Formula | C12H9F3N4S |
|---|---|
| Molecular Weight | 298.05 g/mol |
| LogP | 3.01286 |
| Topological Polar Surface Area | 63.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.05 |
| Heavy Atoms | 20 |
| Complexity | 575.10406 |
Chemical Identifiers
| CAS Number | 339022-95-6 |
|---|---|
| SMILES | CN(C)C(=C(C#N)C#N)SC1=NC=C(C=C1)C(F)(F)F |
Product Overview
2-[(dimethylamino)({[5-(trifluoromethyl)pyridin-2-yl]sulfanyl})methylidene]propanedinitrile (CAS 339022-95-6), with molecular formula C12H9F3N4S and molecular weight 298.05 g/mol. IUPAC: 2-[dimethylamino-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]methylidene]propanedinitrile.
Chemical Property Profile of 2-[(dimethylamino)({[5-(trifluoromethyl)pyridin-2-yl]sulfanyl})methylidene]propanedinitrile
Property Insights of 2-[(dimethylamino)({[5-(trifluoromethyl)pyridin-2-yl]sulfanyl})methylidene]propanedinitrile
The XLogP value of 3.01286 indicates that 2-[(dimethylamino)({[5-(trifluoromethyl)pyridin-2-yl]sulfanyl})methylidene]propanedinitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(dimethylamino)({[5-(trifluoromethyl)pyridin-2-yl]sulfanyl})methylidene]propanedinitrile. Following Lipinski's Rule of Five, 2-[(dimethylamino)({[5-(trifluoromethyl)pyridin-2-yl]sulfanyl})methylidene]propanedinitrile has 0 hydrogen bond donor(s) and 5 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 2-[(dimethylamino)({[5-(trifluoromethyl)pyridin-2-yl]sulfanyl})methylidene]propanedinitrile?
The CAS number of 2-[(dimethylamino)({[5-(trifluoromethyl)pyridin-2-yl]sulfanyl})methylidene]propanedinitrile is 339022-95-6.
What is the molecular formula of 2-[(dimethylamino)({[5-(trifluoromethyl)pyridin-2-yl]sulfanyl})methylidene]propanedinitrile?
The molecular formula of 2-[(dimethylamino)({[5-(trifluoromethyl)pyridin-2-yl]sulfanyl})methylidene]propanedinitrile is C12H9F3N4S.
What is the molecular weight of 2-[(dimethylamino)({[5-(trifluoromethyl)pyridin-2-yl]sulfanyl})methylidene]propanedinitrile?
The molecular weight of 2-[(dimethylamino)({[5-(trifluoromethyl)pyridin-2-yl]sulfanyl})methylidene]propanedinitrile is 298.05 g/mol.
Where can I buy 2-[(dimethylamino)({[5-(trifluoromethyl)pyridin-2-yl]sulfanyl})methylidene]propanedinitrile?
You can request a quote for 2-[(dimethylamino)({[5-(trifluoromethyl)pyridin-2-yl]sulfanyl})methylidene]propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(dimethylamino)({[5-(trifluoromethyl)pyridin-2-yl]sulfanyl})methylidene]propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(dimethylamino)({[5-(trifluoromethyl)pyridin-2-yl]sulfanyl})methylidene]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.