Phenothiazine-2-carbonitrile
TL;DR: Phenothiazine-2-carbonitrile (CAS 38642-74-9) is a chemical compound with molecular formula C13H8N2S and molecular weight 224.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10H-phenothiazine-2-carbonitrile
Also Known As: 2-Cyano-phenothiazine, 10h-phenothiazine-2-carbonitrile, 2-Cyanophenothiazine, 2-Cyano Phenothiazine, Phenothiazine-2-carbonitrile
| Molecular Formula | C13H8N2S |
|---|---|
| Molecular Weight | 224.04 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 61.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 224.04082 |
| Heavy Atoms | 16 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 38642-74-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC3=C(S2)C=CC(=C3)C#N |
| InChIKey | XZSIGWOVDPSPMG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenothiazine-2-carbonitrile (CAS 38642-74-9), with molecular formula C13H8N2S and molecular weight 224.04 g/mol. IUPAC: 10H-phenothiazine-2-carbonitrile.
Chemical Property Profile of Phenothiazine-2-carbonitrile
Property Insights of Phenothiazine-2-carbonitrile
The XLogP value of 3.9 indicates that Phenothiazine-2-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenothiazine-2-carbonitrile. Following Lipinski's Rule of Five, Phenothiazine-2-carbonitrile has 1 hydrogen bond donor(s) and 3 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 Phenothiazine-2-carbonitrile?
The CAS number of Phenothiazine-2-carbonitrile is 38642-74-9.
What is the molecular formula of Phenothiazine-2-carbonitrile?
The molecular formula of Phenothiazine-2-carbonitrile is C13H8N2S.
What is the molecular weight of Phenothiazine-2-carbonitrile?
The molecular weight of Phenothiazine-2-carbonitrile is 224.04 g/mol.
Where can I buy Phenothiazine-2-carbonitrile?
You can request a quote for Phenothiazine-2-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenothiazine-2-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for Phenothiazine-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.