S-1,3-benzoxazol-2-yl 10H-phenothiazine-10-carbothioate
TL;DR: S-1,3-benzoxazol-2-yl 10H-phenothiazine-10-carbothioate (CAS 384350-71-4) is a chemical compound with molecular formula C20H12N2O2S2 and molecular weight 376.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(1,3-benzoxazol-2-yl) phenothiazine-10-carbothioate
Also Known As: benzoxazol-2-ylthio phenothiazin-10-yl ketone, S-1,3-benzoxazol-2-yl 10H-phenothiazine-10-carbothioate, S-(1,3-benzoxazol-2-yl) phenothiazine-10-carbothioate, S-benzo[d]oxazol-2-yl 10H-phenothiazine-10-carbothioate, S-(1,3-benzoxazol-2-yl) 10H-phenothiazine-10-carbothioate
| Molecular Formula | C20H12N2O2S2 |
|---|---|
| Molecular Weight | 376.03 g/mol |
| LogP | 6.3428 |
| Topological Polar Surface Area | 46.34 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 376.03403 |
| Heavy Atoms | 26 |
| Complexity | 1060.8363 |
Chemical Identifiers
| CAS Number | 384350-71-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(O2)SC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53 |
Product Overview
S-1,3-benzoxazol-2-yl 10H-phenothiazine-10-carbothioate (CAS 384350-71-4), with molecular formula C20H12N2O2S2 and molecular weight 376.03 g/mol. IUPAC: S-(1,3-benzoxazol-2-yl) phenothiazine-10-carbothioate.
Chemical Property Profile of S-1,3-benzoxazol-2-yl 10H-phenothiazine-10-carbothioate
Property Insights of S-1,3-benzoxazol-2-yl 10H-phenothiazine-10-carbothioate
The XLogP value of 6.3428 indicates that S-1,3-benzoxazol-2-yl 10H-phenothiazine-10-carbothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.34 Ų, S-1,3-benzoxazol-2-yl 10H-phenothiazine-10-carbothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-1,3-benzoxazol-2-yl 10H-phenothiazine-10-carbothioate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of S-1,3-benzoxazol-2-yl 10H-phenothiazine-10-carbothioate?
The CAS number of S-1,3-benzoxazol-2-yl 10H-phenothiazine-10-carbothioate is 384350-71-4.
What is the molecular formula of S-1,3-benzoxazol-2-yl 10H-phenothiazine-10-carbothioate?
The molecular formula of S-1,3-benzoxazol-2-yl 10H-phenothiazine-10-carbothioate is C20H12N2O2S2.
What is the molecular weight of S-1,3-benzoxazol-2-yl 10H-phenothiazine-10-carbothioate?
The molecular weight of S-1,3-benzoxazol-2-yl 10H-phenothiazine-10-carbothioate is 376.03 g/mol.
Where can I buy S-1,3-benzoxazol-2-yl 10H-phenothiazine-10-carbothioate?
You can request a quote for S-1,3-benzoxazol-2-yl 10H-phenothiazine-10-carbothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-1,3-benzoxazol-2-yl 10H-phenothiazine-10-carbothioate?
Yes, KEHONG BIO provides custom synthesis services for S-1,3-benzoxazol-2-yl 10H-phenothiazine-10-carbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.