9-氧代-9H-硫杂蒽-3-甲腈
TL;DR: 9-氧代-9H-硫杂蒽-3-甲腈 (CAS 51762-90-4) is a chemical compound with molecular formula C14H7NOS and molecular weight 237.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-氧代-9H-硫杂蒽-3-甲腈
9-oxothioxanthene-3-carbonitrile
Also Known As: 9-Oxo-9H-thioxanthene-3-carbonitrile, 3-Cyanothioxanthone, 9-oxothioxanthene-3-carbonitrile, 9H-Thioxanthene-3-carbonitrile,9-oxo-, 9H-Thioxanthene-3-carbonitrile, 9-oxo-
| Molecular Formula | C14H7NOS |
|---|---|
| Molecular Weight | 237.02 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 66.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 237.02484 |
| Heavy Atoms | 17 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 51762-90-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(S2)C=C(C=C3)C#N |
| InChIKey | PEKGWSOIIJWWKO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
9-氧代-9H-硫杂蒽-3-甲腈 (CAS 51762-90-4), with molecular formula C14H7NOS and molecular weight 237.02 g/mol. IUPAC: 9-oxothioxanthene-3-carbonitrile.
Chemical Property Profile of 9-氧代-9H-硫杂蒽-3-甲腈
Property Insights of 9-氧代-9H-硫杂蒽-3-甲腈
The XLogP value of 3.7 indicates that 9-氧代-9H-硫杂蒽-3-甲腈 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-氧代-9H-硫杂蒽-3-甲腈. Following Lipinski's Rule of Five, 9-氧代-9H-硫杂蒽-3-甲腈 has 0 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 9-氧代-9H-硫杂蒽-3-甲腈?
The CAS number of 9-氧代-9H-硫杂蒽-3-甲腈 is 51762-90-4.
What is the molecular formula of 9-氧代-9H-硫杂蒽-3-甲腈?
The molecular formula of 9-氧代-9H-硫杂蒽-3-甲腈 is C14H7NOS.
What is the molecular weight of 9-氧代-9H-硫杂蒽-3-甲腈?
The molecular weight of 9-氧代-9H-硫杂蒽-3-甲腈 is 237.02 g/mol.
Where can I buy 9-氧代-9H-硫杂蒽-3-甲腈?
You can request a quote for 9-氧代-9H-硫杂蒽-3-甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-氧代-9H-硫杂蒽-3-甲腈?
Yes, KEHONG BIO provides custom synthesis services for 9-氧代-9H-硫杂蒽-3-甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.