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2-[Methylsulfanyl(piperidin-1-yl)methylidene]propanedinitrile
TL;DR: 2-[Methylsulfanyl(piperidin-1-yl)methylidene]propanedinitrile (CAS 3012-89-3) is a chemical compound with molecular formula C10H13N3S and molecular weight 207.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[methylsulfanyl(piperidin-1-yl)methylidene]propanedinitrile
Also Known As: 2-[methylsulfanyl(piperidin-1-yl)methylidene]propanedinitrile, 2-[(methylsulfanyl)(piperidin-1-yl)methylidene]propanedinitrile, 2-((Methylthio)(piperidin-1-yl)methylene)malononitrile, Propanedinitrile, 2-[(methylthio)-1-piperidinylmethylene]-
| Molecular Formula | C10H13N3S |
|---|---|
| Molecular Weight | 207.08 g/mol |
| LogP | 2.09406 |
| Topological Polar Surface Area | 50.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 207.08302 |
| Heavy Atoms | 14 |
| Complexity | 286.30927 |
Chemical Identifiers
| CAS Number | 3012-89-3 |
|---|---|
| SMILES | CSC(=C(C#N)C#N)N1CCCCC1 |
Product Overview
2-[Methylsulfanyl(piperidin-1-yl)methylidene]propanedinitrile (CAS 3012-89-3), with molecular formula C10H13N3S and molecular weight 207.08 g/mol. IUPAC: 2-[methylsulfanyl(piperidin-1-yl)methylidene]propanedinitrile.
Chemical Property Profile of 2-[Methylsulfanyl(piperidin-1-yl)methylidene]propanedinitrile
Property Insights of 2-[Methylsulfanyl(piperidin-1-yl)methylidene]propanedinitrile
The XLogP value of 2.09406 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[Methylsulfanyl(piperidin-1-yl)methylidene]propanedinitrile. With a topological polar surface area (TPSA) of 50.82 Ų, 2-[Methylsulfanyl(piperidin-1-yl)methylidene]propanedinitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[Methylsulfanyl(piperidin-1-yl)methylidene]propanedinitrile 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 2-[Methylsulfanyl(piperidin-1-yl)methylidene]propanedinitrile?
The CAS number of 2-[Methylsulfanyl(piperidin-1-yl)methylidene]propanedinitrile is 3012-89-3.
What is the molecular formula of 2-[Methylsulfanyl(piperidin-1-yl)methylidene]propanedinitrile?
The molecular formula of 2-[Methylsulfanyl(piperidin-1-yl)methylidene]propanedinitrile is C10H13N3S.
What is the molecular weight of 2-[Methylsulfanyl(piperidin-1-yl)methylidene]propanedinitrile?
The molecular weight of 2-[Methylsulfanyl(piperidin-1-yl)methylidene]propanedinitrile is 207.08 g/mol.
Where can I buy 2-[Methylsulfanyl(piperidin-1-yl)methylidene]propanedinitrile?
You can request a quote for 2-[Methylsulfanyl(piperidin-1-yl)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-[Methylsulfanyl(piperidin-1-yl)methylidene]propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[Methylsulfanyl(piperidin-1-yl)methylidene]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.