Titanium(4+) thiocyanate cyclopenta-2,4-dien-1-ide (1/3/1)
TL;DR: Titanium(4+) thiocyanate cyclopenta-2,4-dien-1-ide (1/3/1) (CAS 37893-08-6) is a chemical compound with molecular formula C8H5N3S3Ti and molecular weight 286.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclopenta-1,3-diene;titanium(4+);trithiocyanate
Also Known As: pi-Cyclopentadienyltri(thiocyanato)titanium(IV), 9,10-Anthracenedione,dihydroxydinitro, Titanium(IV), pi-cyclopentadienyltri(thiocyanato)-, cyclopenta-1,3-diene,titanium(4+),trithiocyanate, cyclopenta-1,3-diene; titanium(4+); trithiocyanate
| Molecular Formula | C8H5N3S3Ti |
|---|---|
| Molecular Weight | 286.91 g/mol |
| LogP | 1.44614 |
| Topological Polar Surface Area | 74.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 286.9125 |
| Heavy Atoms | 15 |
| Complexity | 42.0 |
Chemical Identifiers
| CAS Number | 37893-08-6 |
|---|---|
| SMILES | [CH-]1C=CC=C1.C(#N)[S-].C(#N)[S-].C(#N)[S-].[Ti+4] |
| InChIKey | BUELMYFKEUMONF-UHFFFAOYSA-K |
Product Overview
Titanium(4+) thiocyanate cyclopenta-2,4-dien-1-ide (1/3/1) (CAS 37893-08-6), with molecular formula C8H5N3S3Ti and molecular weight 286.91 g/mol. IUPAC: cyclopenta-1,3-diene;titanium(4+);trithiocyanate.
Chemical Property Profile of Titanium(4+) thiocyanate cyclopenta-2,4-dien-1-ide (1/3/1)
Property Insights of Titanium(4+) thiocyanate cyclopenta-2,4-dien-1-ide (1/3/1)
The XLogP value of 1.44614 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Titanium(4+) thiocyanate cyclopenta-2,4-dien-1-ide (1/3/1). The TPSA of 74.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Titanium(4+) thiocyanate cyclopenta-2,4-dien-1-ide (1/3/1). Following Lipinski's Rule of Five, Titanium(4+) thiocyanate cyclopenta-2,4-dien-1-ide (1/3/1) has 0 hydrogen bond donor(s) and 7 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 Titanium(4+) thiocyanate cyclopenta-2,4-dien-1-ide (1/3/1)?
The CAS number of Titanium(4+) thiocyanate cyclopenta-2,4-dien-1-ide (1/3/1) is 37893-08-6.
What is the molecular formula of Titanium(4+) thiocyanate cyclopenta-2,4-dien-1-ide (1/3/1)?
The molecular formula of Titanium(4+) thiocyanate cyclopenta-2,4-dien-1-ide (1/3/1) is C8H5N3S3Ti.
What is the molecular weight of Titanium(4+) thiocyanate cyclopenta-2,4-dien-1-ide (1/3/1)?
The molecular weight of Titanium(4+) thiocyanate cyclopenta-2,4-dien-1-ide (1/3/1) is 286.91 g/mol.
Where can I buy Titanium(4+) thiocyanate cyclopenta-2,4-dien-1-ide (1/3/1)?
You can request a quote for Titanium(4+) thiocyanate cyclopenta-2,4-dien-1-ide (1/3/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Titanium(4+) thiocyanate cyclopenta-2,4-dien-1-ide (1/3/1)?
Yes, KEHONG BIO provides custom synthesis services for Titanium(4+) thiocyanate cyclopenta-2,4-dien-1-ide (1/3/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.