2,5-diphenyl-1H-pyrrole-3,4-diyl bis(thiocyanate)
TL;DR: 2,5-diphenyl-1H-pyrrole-3,4-diyl bis(thiocyanate) (CAS 438539-30-1) is a chemical compound with molecular formula C18H11N3S2 and molecular weight 333.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,5-diphenyl-4-thiocyanato-1H-pyrrol-3-yl) thiocyanate
Also Known As: 2,5-diphenyl-1H-pyrrole-3,4-diyl bis(thiocyanate), 2,5-diphenyl-3,4-dithiocyanato-1H-pyrrole, (4-cyanothio-2,5-diphenylpyrrol-3-yl)thiocarbonitrile, (2,5-diphenyl-4-thiocyanato-1H-pyrrol-3-yl) thiocyanate, {[4-(CYANOSULFANYL)-2,5-DIPHENYL-1H-PYRROL-3-YL]SULFANYL}FORMONITRILE
| Molecular Formula | C18H11N3S2 |
|---|---|
| Molecular Weight | 333.04 g/mol |
| LogP | 5.49506 |
| Topological Polar Surface Area | 63.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 333.03943 |
| Heavy Atoms | 23 |
| Complexity | 813.7564 |
Chemical Identifiers
| CAS Number | 438539-30-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(C(=C(N2)C3=CC=CC=C3)SC#N)SC#N |
Product Overview
2,5-diphenyl-1H-pyrrole-3,4-diyl bis(thiocyanate) (CAS 438539-30-1), with molecular formula C18H11N3S2 and molecular weight 333.04 g/mol. IUPAC: (2,5-diphenyl-4-thiocyanato-1H-pyrrol-3-yl) thiocyanate.
Chemical Property Profile of 2,5-diphenyl-1H-pyrrole-3,4-diyl bis(thiocyanate)
Property Insights of 2,5-diphenyl-1H-pyrrole-3,4-diyl bis(thiocyanate)
The XLogP value of 5.49506 indicates that 2,5-diphenyl-1H-pyrrole-3,4-diyl bis(thiocyanate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5-diphenyl-1H-pyrrole-3,4-diyl bis(thiocyanate). Following Lipinski's Rule of Five, 2,5-diphenyl-1H-pyrrole-3,4-diyl bis(thiocyanate) has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,5-diphenyl-1H-pyrrole-3,4-diyl bis(thiocyanate)?
The CAS number of 2,5-diphenyl-1H-pyrrole-3,4-diyl bis(thiocyanate) is 438539-30-1.
What is the molecular formula of 2,5-diphenyl-1H-pyrrole-3,4-diyl bis(thiocyanate)?
The molecular formula of 2,5-diphenyl-1H-pyrrole-3,4-diyl bis(thiocyanate) is C18H11N3S2.
What is the molecular weight of 2,5-diphenyl-1H-pyrrole-3,4-diyl bis(thiocyanate)?
The molecular weight of 2,5-diphenyl-1H-pyrrole-3,4-diyl bis(thiocyanate) is 333.04 g/mol.
Where can I buy 2,5-diphenyl-1H-pyrrole-3,4-diyl bis(thiocyanate)?
You can request a quote for 2,5-diphenyl-1H-pyrrole-3,4-diyl bis(thiocyanate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-diphenyl-1H-pyrrole-3,4-diyl bis(thiocyanate)?
Yes, KEHONG BIO provides custom synthesis services for 2,5-diphenyl-1H-pyrrole-3,4-diyl bis(thiocyanate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.