2,3-二氢-4H-1-苯并硫代吡喃-4-酮 肟
TL;DR: 2,3-二氢-4H-1-苯并硫代吡喃-4-酮 肟 (CAS 15857-68-8) is a chemical compound with molecular formula C9H9NOS and molecular weight 179.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-二氢-4H-1-苯并硫代吡喃-4-酮 肟
N-(2,3-dihydrothiochromen-4-ylidene)hydroxylamine
Also Known As: 1-Thiochrome, oxime, Thiochroman-4-one oxime, Thiochroman-4-one, oxime, 4-thiochromanone oxime, (E)-thiochroman-4-one oxime
| Molecular Formula | C9H9NOS |
|---|---|
| Molecular Weight | 179.04 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 57.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 179.04048 |
| Heavy Atoms | 12 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 15857-68-8 |
|---|---|
| SMILES | C1CSC2=CC=CC=C2C1=NO |
| InChIKey | RARVWGVWROHFMP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3-二氢-4H-1-苯并硫代吡喃-4-酮 肟 (CAS 15857-68-8), with molecular formula C9H9NOS and molecular weight 179.04 g/mol. IUPAC: N-(2,3-dihydrothiochromen-4-ylidene)hydroxylamine.
Chemical Property Profile of 2,3-二氢-4H-1-苯并硫代吡喃-4-酮 肟
Property Insights of 2,3-二氢-4H-1-苯并硫代吡喃-4-酮 肟
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-二氢-4H-1-苯并硫代吡喃-4-酮 肟. With a topological polar surface area (TPSA) of 57.9 Ų, 2,3-二氢-4H-1-苯并硫代吡喃-4-酮 肟 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-二氢-4H-1-苯并硫代吡喃-4-酮 肟 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 2,3-二氢-4H-1-苯并硫代吡喃-4-酮 肟?
The CAS number of 2,3-二氢-4H-1-苯并硫代吡喃-4-酮 肟 is 15857-68-8.
What is the molecular formula of 2,3-二氢-4H-1-苯并硫代吡喃-4-酮 肟?
The molecular formula of 2,3-二氢-4H-1-苯并硫代吡喃-4-酮 肟 is C9H9NOS.
What is the molecular weight of 2,3-二氢-4H-1-苯并硫代吡喃-4-酮 肟?
The molecular weight of 2,3-二氢-4H-1-苯并硫代吡喃-4-酮 肟 is 179.04 g/mol.
Where can I buy 2,3-二氢-4H-1-苯并硫代吡喃-4-酮 肟?
You can request a quote for 2,3-二氢-4H-1-苯并硫代吡喃-4-酮 肟 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-二氢-4H-1-苯并硫代吡喃-4-酮 肟?
Yes, KEHONG BIO provides custom synthesis services for 2,3-二氢-4H-1-苯并硫代吡喃-4-酮 肟 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.