![2-[(Dimethylamino)(methylsulfanyl)methylidene]propanedinitrile structure](/static/products/3129/31297-60-6.webp)
2-[(Dimethylamino)(methylsulfanyl)methylidene]propanedinitrile
TL;DR: 2-[(Dimethylamino)(methylsulfanyl)methylidene]propanedinitrile (CAS 31297-60-6) is a chemical compound with molecular formula C7H9N3S and molecular weight 167.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[dimethylamino(methylsulfanyl)methylidene]propanedinitrile
Also Known As: 2-[(dimethylamino)(methylsulfanyl)methylidene]propanedinitrile, 2-[(dimethylamino)(methylsulfanyl)methylene]malononitrile, 2-[dimethylamino(methylsulfanyl)methylidene]propanedinitrile, J1.434.266D, 2-dimethylamino(methylthio)methylidene malono-nitrile
| Molecular Formula | C7H9N3S |
|---|---|
| Molecular Weight | 167.05 g/mol |
| LogP | 1.16976 |
| Topological Polar Surface Area | 50.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 167.05171 |
| Heavy Atoms | 11 |
| Complexity | 225.39175 |
Chemical Identifiers
| CAS Number | 31297-60-6 |
|---|---|
| SMILES | CN(C)C(=C(C#N)C#N)SC |
Product Overview
2-[(Dimethylamino)(methylsulfanyl)methylidene]propanedinitrile (CAS 31297-60-6), with molecular formula C7H9N3S and molecular weight 167.05 g/mol. IUPAC: 2-[dimethylamino(methylsulfanyl)methylidene]propanedinitrile.
Chemical Property Profile of 2-[(Dimethylamino)(methylsulfanyl)methylidene]propanedinitrile
Property Insights of 2-[(Dimethylamino)(methylsulfanyl)methylidene]propanedinitrile
The XLogP value of 1.16976 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(Dimethylamino)(methylsulfanyl)methylidene]propanedinitrile. With a topological polar surface area (TPSA) of 50.82 Ų, 2-[(Dimethylamino)(methylsulfanyl)methylidene]propanedinitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(Dimethylamino)(methylsulfanyl)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-[(Dimethylamino)(methylsulfanyl)methylidene]propanedinitrile?
The CAS number of 2-[(Dimethylamino)(methylsulfanyl)methylidene]propanedinitrile is 31297-60-6.
What is the molecular formula of 2-[(Dimethylamino)(methylsulfanyl)methylidene]propanedinitrile?
The molecular formula of 2-[(Dimethylamino)(methylsulfanyl)methylidene]propanedinitrile is C7H9N3S.
What is the molecular weight of 2-[(Dimethylamino)(methylsulfanyl)methylidene]propanedinitrile?
The molecular weight of 2-[(Dimethylamino)(methylsulfanyl)methylidene]propanedinitrile is 167.05 g/mol.
Where can I buy 2-[(Dimethylamino)(methylsulfanyl)methylidene]propanedinitrile?
You can request a quote for 2-[(Dimethylamino)(methylsulfanyl)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)(methylsulfanyl)methylidene]propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(Dimethylamino)(methylsulfanyl)methylidene]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.