1,2,4,5-Tetramethyl-3,6-bis(thiocyanatomethyl)benzene
TL;DR: 1,2,4,5-Tetramethyl-3,6-bis(thiocyanatomethyl)benzene (CAS 70477-55-3) is a chemical compound with molecular formula C14H16N2S2 and molecular weight 276.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,3,5,6-tetramethyl-4-(thiocyanatomethyl)phenyl]methyl thiocyanate
Also Known As: 1,2,4,5-tetramethyl-3,6-bis(thiocyanatomethyl)benzene, [2,3,5,6-tetramethyl-4-(thiocyanatomethyl)phenyl]methyl thiocyanate, (2,3,5,6-Tetramethyl-1,4-phenylene)bis(methylene) bis(thiocyanate)
| Molecular Formula | C14H16N2S2 |
|---|---|
| Molecular Weight | 276.08 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 98.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 276.0755 |
| Heavy Atoms | 18 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 70477-55-3 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1CSC#N)C)C)CSC#N)C |
| InChIKey | QOBUTQBFVKUEQN-UHFFFAOYSA-N |
Product Overview
1,2,4,5-Tetramethyl-3,6-bis(thiocyanatomethyl)benzene (CAS 70477-55-3), with molecular formula C14H16N2S2 and molecular weight 276.08 g/mol. IUPAC: [2,3,5,6-tetramethyl-4-(thiocyanatomethyl)phenyl]methyl thiocyanate.
Chemical Property Profile of 1,2,4,5-Tetramethyl-3,6-bis(thiocyanatomethyl)benzene
Property Insights of 1,2,4,5-Tetramethyl-3,6-bis(thiocyanatomethyl)benzene
The XLogP value of 4.4 indicates that 1,2,4,5-Tetramethyl-3,6-bis(thiocyanatomethyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,4,5-Tetramethyl-3,6-bis(thiocyanatomethyl)benzene. Following Lipinski's Rule of Five, 1,2,4,5-Tetramethyl-3,6-bis(thiocyanatomethyl)benzene 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 1,2,4,5-Tetramethyl-3,6-bis(thiocyanatomethyl)benzene?
The CAS number of 1,2,4,5-Tetramethyl-3,6-bis(thiocyanatomethyl)benzene is 70477-55-3.
What is the molecular formula of 1,2,4,5-Tetramethyl-3,6-bis(thiocyanatomethyl)benzene?
The molecular formula of 1,2,4,5-Tetramethyl-3,6-bis(thiocyanatomethyl)benzene is C14H16N2S2.
What is the molecular weight of 1,2,4,5-Tetramethyl-3,6-bis(thiocyanatomethyl)benzene?
The molecular weight of 1,2,4,5-Tetramethyl-3,6-bis(thiocyanatomethyl)benzene is 276.08 g/mol.
Where can I buy 1,2,4,5-Tetramethyl-3,6-bis(thiocyanatomethyl)benzene?
You can request a quote for 1,2,4,5-Tetramethyl-3,6-bis(thiocyanatomethyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4,5-Tetramethyl-3,6-bis(thiocyanatomethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4,5-Tetramethyl-3,6-bis(thiocyanatomethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.