N-(9H-xanthen-9-yl)benzenecarbothioamide
TL;DR: N-(9H-xanthen-9-yl)benzenecarbothioamide (CAS 111527-54-9) is a chemical compound with molecular formula C20H15NOS and molecular weight 317.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(9H-xanthen-9-yl)benzenecarbothioamide
Also Known As: N-(9H-xanthen-9-yl)benzenecarbothioamide, phenyl(xanthen-9-ylamino)methane-1-thione
| Molecular Formula | C20H15NOS |
|---|---|
| Molecular Weight | 317.09 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 53.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 317.08743 |
| Heavy Atoms | 23 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 111527-54-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=S)NC2C3=CC=CC=C3OC4=CC=CC=C24 |
| InChIKey | DWOLWOMVLVCRQL-UHFFFAOYSA-N |
Product Overview
N-(9H-xanthen-9-yl)benzenecarbothioamide (CAS 111527-54-9), with molecular formula C20H15NOS and molecular weight 317.09 g/mol. IUPAC: N-(9H-xanthen-9-yl)benzenecarbothioamide.
Chemical Property Profile of N-(9H-xanthen-9-yl)benzenecarbothioamide
Property Insights of N-(9H-xanthen-9-yl)benzenecarbothioamide
The XLogP value of 4.6 indicates that N-(9H-xanthen-9-yl)benzenecarbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.4 Ų, N-(9H-xanthen-9-yl)benzenecarbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(9H-xanthen-9-yl)benzenecarbothioamide has 1 hydrogen bond donor(s) and 2 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 N-(9H-xanthen-9-yl)benzenecarbothioamide?
The CAS number of N-(9H-xanthen-9-yl)benzenecarbothioamide is 111527-54-9.
What is the molecular formula of N-(9H-xanthen-9-yl)benzenecarbothioamide?
The molecular formula of N-(9H-xanthen-9-yl)benzenecarbothioamide is C20H15NOS.
What is the molecular weight of N-(9H-xanthen-9-yl)benzenecarbothioamide?
The molecular weight of N-(9H-xanthen-9-yl)benzenecarbothioamide is 317.09 g/mol.
Where can I buy N-(9H-xanthen-9-yl)benzenecarbothioamide?
You can request a quote for N-(9H-xanthen-9-yl)benzenecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(9H-xanthen-9-yl)benzenecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(9H-xanthen-9-yl)benzenecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.