2-(Amino(methylthio)methylene)malononitrile
TL;DR: 2-(Amino(methylthio)methylene)malononitrile (CAS 18071-20-0) is a chemical compound with molecular formula C5H5N3S and molecular weight 139.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[amino(methylsulfanyl)methylidene]propanedinitrile
Also Known As: 2-(AMINO(METHYLTHIO)METHYLENE)MALONONITRILE, 2-[amino(methylsulfanyl)methylidene]propanedinitrile, amino-(methylmercapto)-methylenemalononitrile, Propanedinitrile, 2-[amino(methylthio)methylene]-, 2-[Amino(methylthio)methylene]malononitrile
| Molecular Formula | C5H5N3S |
|---|---|
| Molecular Weight | 139.02 g/mol |
| LogP | 0.56686 |
| Topological Polar Surface Area | 73.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 139.02042 |
| Heavy Atoms | 9 |
| Complexity | 189.22345 |
Chemical Identifiers
| CAS Number | 18071-20-0 |
|---|---|
| SMILES | CSC(=C(C#N)C#N)N |
Product Overview
2-(Amino(methylthio)methylene)malononitrile (CAS 18071-20-0), with molecular formula C5H5N3S and molecular weight 139.02 g/mol. IUPAC: 2-[amino(methylsulfanyl)methylidene]propanedinitrile.
Chemical Property Profile of 2-(Amino(methylthio)methylene)malononitrile
Property Insights of 2-(Amino(methylthio)methylene)malononitrile
The XLogP value of 0.56686 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Amino(methylthio)methylene)malononitrile. The TPSA of 73.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Amino(methylthio)methylene)malononitrile. Following Lipinski's Rule of Five, 2-(Amino(methylthio)methylene)malononitrile has 1 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-(Amino(methylthio)methylene)malononitrile?
The CAS number of 2-(Amino(methylthio)methylene)malononitrile is 18071-20-0.
What is the molecular formula of 2-(Amino(methylthio)methylene)malononitrile?
The molecular formula of 2-(Amino(methylthio)methylene)malononitrile is C5H5N3S.
What is the molecular weight of 2-(Amino(methylthio)methylene)malononitrile?
The molecular weight of 2-(Amino(methylthio)methylene)malononitrile is 139.02 g/mol.
Where can I buy 2-(Amino(methylthio)methylene)malononitrile?
You can request a quote for 2-(Amino(methylthio)methylene)malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Amino(methylthio)methylene)malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Amino(methylthio)methylene)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.