10H-Phenothiazin-3-yl thiocyanate
TL;DR: 10H-Phenothiazin-3-yl thiocyanate (CAS 31816-98-5) is a chemical compound with molecular formula C13H8N2S2 and molecular weight 256.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10H-phenothiazin-3-yl thiocyanate
Also Known As: 3-Thiocyanatophenothiazine, 3-thiocyanophenothiazine, 10H-Phenothiazin-3-yl thiocyanate, 10H-Phenothiazin-3-yl thiocyanate #, Thiocyanic acid, 10H-phenothiazin-3-yl ester
| Molecular Formula | C13H8N2S2 |
|---|---|
| Molecular Weight | 256.01 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 86.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 256.01288 |
| Heavy Atoms | 17 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 31816-98-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC3=C(S2)C=C(C=C3)SC#N |
| InChIKey | PEVHEVWTZJPNJL-UHFFFAOYSA-N |
Product Overview
10H-Phenothiazin-3-yl thiocyanate (CAS 31816-98-5), with molecular formula C13H8N2S2 and molecular weight 256.01 g/mol. IUPAC: 10H-phenothiazin-3-yl thiocyanate.
Chemical Property Profile of 10H-Phenothiazin-3-yl thiocyanate
Property Insights of 10H-Phenothiazin-3-yl thiocyanate
The XLogP value of 4.7 indicates that 10H-Phenothiazin-3-yl thiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 10H-Phenothiazin-3-yl thiocyanate. Following Lipinski's Rule of Five, 10H-Phenothiazin-3-yl thiocyanate has 1 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 10H-Phenothiazin-3-yl thiocyanate?
The CAS number of 10H-Phenothiazin-3-yl thiocyanate is 31816-98-5.
What is the molecular formula of 10H-Phenothiazin-3-yl thiocyanate?
The molecular formula of 10H-Phenothiazin-3-yl thiocyanate is C13H8N2S2.
What is the molecular weight of 10H-Phenothiazin-3-yl thiocyanate?
The molecular weight of 10H-Phenothiazin-3-yl thiocyanate is 256.01 g/mol.
Where can I buy 10H-Phenothiazin-3-yl thiocyanate?
You can request a quote for 10H-Phenothiazin-3-yl thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10H-Phenothiazin-3-yl thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 10H-Phenothiazin-3-yl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.