C,C'-1,3-Propanediyl dithiocyanate
TL;DR: C,C'-1,3-Propanediyl dithiocyanate (CAS 7314-74-1) is a chemical compound with molecular formula C5H6N2S2 and molecular weight 158.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-thiocyanatopropyl thiocyanate
Also Known As: Trimethylendirhodanid, Trimethylenrhodanid, Trimethylene thiocyanate, 1,3-Bis(thiocyanato)propane, Trimethylenebisthiocyanate
| Molecular Formula | C5H6N2S2 |
|---|---|
| Molecular Weight | 158.00 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 98.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 157.99724 |
| Heavy Atoms | 9 |
| Complexity | 131.0 |
Chemical Identifiers
| CAS Number | 7314-74-1 |
|---|---|
| SMILES | C(CSC#N)CSC#N |
| InChIKey | REUWYUITIHLJNM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
C,C'-1,3-Propanediyl dithiocyanate (CAS 7314-74-1), with molecular formula C5H6N2S2 and molecular weight 158.00 g/mol. IUPAC: 3-thiocyanatopropyl thiocyanate.
Chemical Property Profile of C,C'-1,3-Propanediyl dithiocyanate
Property Insights of C,C'-1,3-Propanediyl dithiocyanate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C,C'-1,3-Propanediyl dithiocyanate. The TPSA of 98.2 Ų falls within the moderate polarity range, balancing permeability and solubility for C,C'-1,3-Propanediyl dithiocyanate. Following Lipinski's Rule of Five, C,C'-1,3-Propanediyl dithiocyanate 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 C,C'-1,3-Propanediyl dithiocyanate?
The CAS number of C,C'-1,3-Propanediyl dithiocyanate is 7314-74-1.
What is the molecular formula of C,C'-1,3-Propanediyl dithiocyanate?
The molecular formula of C,C'-1,3-Propanediyl dithiocyanate is C5H6N2S2.
What is the molecular weight of C,C'-1,3-Propanediyl dithiocyanate?
The molecular weight of C,C'-1,3-Propanediyl dithiocyanate is 158.00 g/mol.
Where can I buy C,C'-1,3-Propanediyl dithiocyanate?
You can request a quote for C,C'-1,3-Propanediyl dithiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C,C'-1,3-Propanediyl dithiocyanate?
Yes, KEHONG BIO provides custom synthesis services for C,C'-1,3-Propanediyl dithiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.