(2,2-dimethyltetrahydro-4H-thiopyran-4-ylidene)propanedinitrile
TL;DR: (2,2-dimethyltetrahydro-4H-thiopyran-4-ylidene)propanedinitrile (CAS 65413-44-7) is a chemical compound with molecular formula C10H12N2S and molecular weight 192.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,2-dimethylthian-4-ylidene)propanedinitrile
Also Known As: 2-(2,2-dimethylthian-4-ylidene)propanedinitrile, (2,2-Dimethylthian-4-ylidene)propanedinitrile, (2,2-dimethyltetrahydro-4H-thiopyran-4-ylidene)propanedinitrile, 2,2-dimethyl-4-tetrahydrothiopyranylidenemalondinitrile, 2-(2,2-dimethyldihydro-2H-thiopyran-4(3H)-ylidene)malononitrile
| Molecular Formula | C10H12N2S |
|---|---|
| Molecular Weight | 192.07 g/mol |
| LogP | 2.63576 |
| Topological Polar Surface Area | 47.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 192.07211 |
| Heavy Atoms | 13 |
| Complexity | 298.7969 |
Chemical Identifiers
| CAS Number | 65413-44-7 |
|---|---|
| SMILES | CC1(CC(=C(C#N)C#N)CCS1)C |
Product Overview
(2,2-dimethyltetrahydro-4H-thiopyran-4-ylidene)propanedinitrile (CAS 65413-44-7), with molecular formula C10H12N2S and molecular weight 192.07 g/mol. IUPAC: 2-(2,2-dimethylthian-4-ylidene)propanedinitrile.
Chemical Property Profile of (2,2-dimethyltetrahydro-4H-thiopyran-4-ylidene)propanedinitrile
Property Insights of (2,2-dimethyltetrahydro-4H-thiopyran-4-ylidene)propanedinitrile
The XLogP value of 2.63576 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2,2-dimethyltetrahydro-4H-thiopyran-4-ylidene)propanedinitrile. With a topological polar surface area (TPSA) of 47.58 Ų, (2,2-dimethyltetrahydro-4H-thiopyran-4-ylidene)propanedinitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2,2-dimethyltetrahydro-4H-thiopyran-4-ylidene)propanedinitrile has 0 hydrogen bond donor(s) and 3 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 (2,2-dimethyltetrahydro-4H-thiopyran-4-ylidene)propanedinitrile?
The CAS number of (2,2-dimethyltetrahydro-4H-thiopyran-4-ylidene)propanedinitrile is 65413-44-7.
What is the molecular formula of (2,2-dimethyltetrahydro-4H-thiopyran-4-ylidene)propanedinitrile?
The molecular formula of (2,2-dimethyltetrahydro-4H-thiopyran-4-ylidene)propanedinitrile is C10H12N2S.
What is the molecular weight of (2,2-dimethyltetrahydro-4H-thiopyran-4-ylidene)propanedinitrile?
The molecular weight of (2,2-dimethyltetrahydro-4H-thiopyran-4-ylidene)propanedinitrile is 192.07 g/mol.
Where can I buy (2,2-dimethyltetrahydro-4H-thiopyran-4-ylidene)propanedinitrile?
You can request a quote for (2,2-dimethyltetrahydro-4H-thiopyran-4-ylidene)propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,2-dimethyltetrahydro-4H-thiopyran-4-ylidene)propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for (2,2-dimethyltetrahydro-4H-thiopyran-4-ylidene)propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.