Propanedinitrile, (dimercaptomethylene)-
TL;DR: Propanedinitrile, (dimercaptomethylene)- (CAS 18771-14-7) is a chemical compound with molecular formula C4H2N2S2 and molecular weight 141.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[bis(sulfanyl)methylidene]propanedinitrile
Also Known As: dicyanodimercaptoethylene, 1,1-dithiocyanoethene, dimercaptomethylenemalononitrile, Propanedinitrile, (dimercaptomethylene)-, (Dimercaptomethylene)malononitrile
| Molecular Formula | C4H2N2S2 |
|---|---|
| Molecular Weight | 141.97 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 49.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 141.96594 |
| Heavy Atoms | 8 |
| Complexity | 189.0 |
Chemical Identifiers
| CAS Number | 18771-14-7 |
|---|---|
| SMILES | C(#N)C(=C(S)S)C#N |
| InChIKey | LSVUOWMSWQDBMT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propanedinitrile, (dimercaptomethylene)- (CAS 18771-14-7), with molecular formula C4H2N2S2 and molecular weight 141.97 g/mol. IUPAC: 2-[bis(sulfanyl)methylidene]propanedinitrile.
Chemical Property Profile of Propanedinitrile, (dimercaptomethylene)-
Property Insights of Propanedinitrile, (dimercaptomethylene)-
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanedinitrile, (dimercaptomethylene)-. With a topological polar surface area (TPSA) of 49.6 Ų, Propanedinitrile, (dimercaptomethylene)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanedinitrile, (dimercaptomethylene)- has 2 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, (dimercaptomethylene)-?
The CAS number of Propanedinitrile, (dimercaptomethylene)- is 18771-14-7.
What is the molecular formula of Propanedinitrile, (dimercaptomethylene)-?
The molecular formula of Propanedinitrile, (dimercaptomethylene)- is C4H2N2S2.
What is the molecular weight of Propanedinitrile, (dimercaptomethylene)-?
The molecular weight of Propanedinitrile, (dimercaptomethylene)- is 141.97 g/mol.
Where can I buy Propanedinitrile, (dimercaptomethylene)-?
You can request a quote for Propanedinitrile, (dimercaptomethylene)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanedinitrile, (dimercaptomethylene)-?
Yes, KEHONG BIO provides custom synthesis services for Propanedinitrile, (dimercaptomethylene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.