10H-phenothiazine-2-thiol
TL;DR: 10H-phenothiazine-2-thiol (CAS 99970-41-9) is a chemical compound with molecular formula C12H9NS2 and molecular weight 231.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10H-phenothiazine-2-thiol
Also Known As: 10H-phenothiazine-2-thiol, 2-Mercaptophenothiazine, 10H-Phenothiazin-2-yl hydrosulfide, 10H-Phenothiazin-2-yl hydrosulfide #
| Molecular Formula | C12H9NS2 |
|---|---|
| Molecular Weight | 231.02 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 231.01764 |
| Heavy Atoms | 15 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 99970-41-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC3=C(S2)C=CC(=C3)S |
| InChIKey | IOAMEGIEDDLSFG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
10H-phenothiazine-2-thiol (CAS 99970-41-9), with molecular formula C12H9NS2 and molecular weight 231.02 g/mol. IUPAC: 10H-phenothiazine-2-thiol.
Chemical Property Profile of 10H-phenothiazine-2-thiol
Property Insights of 10H-phenothiazine-2-thiol
The XLogP value of 4.3 indicates that 10H-phenothiazine-2-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, 10H-phenothiazine-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 10H-phenothiazine-2-thiol has 2 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 10H-phenothiazine-2-thiol?
The CAS number of 10H-phenothiazine-2-thiol is 99970-41-9.
What is the molecular formula of 10H-phenothiazine-2-thiol?
The molecular formula of 10H-phenothiazine-2-thiol is C12H9NS2.
What is the molecular weight of 10H-phenothiazine-2-thiol?
The molecular weight of 10H-phenothiazine-2-thiol is 231.02 g/mol.
Where can I buy 10H-phenothiazine-2-thiol?
You can request a quote for 10H-phenothiazine-2-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10H-phenothiazine-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 10H-phenothiazine-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.