Propanedinitrile, 2-(allylamino)(methylthio)methylene-
TL;DR: Propanedinitrile, 2-(allylamino)(methylthio)methylene- (CAS 253425-85-3) is a chemical compound with molecular formula C8H9N3S and molecular weight 179.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[methylsulfanyl-(prop-2-enylamino)methylidene]propanedinitrile
Also Known As: 2-[(Allylamino)(methylsulfanyl)methylene]malononitrile, Propanedinitrile, 2-(allylamino)(methylthio)methylene-, 2-[(Allylamino)(methylsulfanyl)methylene]malononitrile #, 2-((allylamino)(methylthio)methylene)malononitrile (en)Propa, 2-[methylsulfanyl-(prop-2-enylamino)methylidene]propanedinitrile
| Molecular Formula | C8H9N3S |
|---|---|
| Molecular Weight | 179.05 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 84.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 179.05171 |
| Heavy Atoms | 12 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 253425-85-3 |
|---|---|
| SMILES | CSC(=C(C#N)C#N)NCC=C |
| InChIKey | ZDBBXMPHLVYDGW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propanedinitrile, 2-(allylamino)(methylthio)methylene- (CAS 253425-85-3), with molecular formula C8H9N3S and molecular weight 179.05 g/mol. IUPAC: 2-[methylsulfanyl-(prop-2-enylamino)methylidene]propanedinitrile.
Chemical Property Profile of Propanedinitrile, 2-(allylamino)(methylthio)methylene-
Property Insights of Propanedinitrile, 2-(allylamino)(methylthio)methylene-
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanedinitrile, 2-(allylamino)(methylthio)methylene-. The TPSA of 84.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanedinitrile, 2-(allylamino)(methylthio)methylene-. Following Lipinski's Rule of Five, Propanedinitrile, 2-(allylamino)(methylthio)methylene- 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 Propanedinitrile, 2-(allylamino)(methylthio)methylene-?
The CAS number of Propanedinitrile, 2-(allylamino)(methylthio)methylene- is 253425-85-3.
What is the molecular formula of Propanedinitrile, 2-(allylamino)(methylthio)methylene-?
The molecular formula of Propanedinitrile, 2-(allylamino)(methylthio)methylene- is C8H9N3S.
What is the molecular weight of Propanedinitrile, 2-(allylamino)(methylthio)methylene-?
The molecular weight of Propanedinitrile, 2-(allylamino)(methylthio)methylene- is 179.05 g/mol.
Where can I buy Propanedinitrile, 2-(allylamino)(methylthio)methylene-?
You can request a quote for Propanedinitrile, 2-(allylamino)(methylthio)methylene- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanedinitrile, 2-(allylamino)(methylthio)methylene-?
Yes, KEHONG BIO provides custom synthesis services for Propanedinitrile, 2-(allylamino)(methylthio)methylene- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.