Methylene bis(thiocyanate)
TL;DR: Methylene bis(thiocyanate) (CAS 6317-18-6) is a chemical compound with molecular formula C3H2N2S2 and molecular weight 129.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
thiocyanatomethyl thiocyanate
Also Known As: Methylene dithiocyanate, Methylenedithiocyanate, Methylene bis(thiocyanate), Proxel MB, Methylenedirhodanide
| Molecular Formula | C3H2N2S2 |
|---|---|
| Molecular Weight | 129.97 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 98.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 129.96594 |
| Heavy Atoms | 7 |
| Complexity | 108.0 |
| Melting Point | 221 to 107.2 °C |
| Solubility | Decomposes (NTP, 1992) |
| Vapor Pressure | 0.00197 [mmHg] |
Chemical Identifiers
| CAS Number | 6317-18-6 |
|---|---|
| SMILES | C(SC#N)SC#N |
| InChIKey | JWZXKXIUSSIAMR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methylene bis(thiocyanate) (CAS 6317-18-6), with molecular formula C3H2N2S2 and molecular weight 129.97 g/mol. IUPAC: thiocyanatomethyl thiocyanate.
Chemical Property Profile of Methylene bis(thiocyanate)
Property Insights of Methylene bis(thiocyanate)
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methylene bis(thiocyanate). The TPSA of 98.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Methylene bis(thiocyanate). Following Lipinski's Rule of Five, Methylene bis(thiocyanate) 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 Methylene bis(thiocyanate)?
The CAS number of Methylene bis(thiocyanate) is 6317-18-6.
What is the molecular formula of Methylene bis(thiocyanate)?
The molecular formula of Methylene bis(thiocyanate) is C3H2N2S2.
What is the molecular weight of Methylene bis(thiocyanate)?
The molecular weight of Methylene bis(thiocyanate) is 129.97 g/mol.
Where can I buy Methylene bis(thiocyanate)?
You can request a quote for Methylene bis(thiocyanate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methylene bis(thiocyanate)?
Yes, KEHONG BIO provides custom synthesis services for Methylene bis(thiocyanate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.