Thiochroman-4-one oxime
TL;DR: Thiochroman-4-one oxime (CAS 482655-34-5) 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.
(NE)-N-(2,3-dihydrothiochromen-4-ylidene)hydroxylamine
Also Known As: Thiochroman-4-one oxime, Thiochromanone oxime, 1-Thiochrome, oxime, Thiochroman-4-oneoxime, Thiochroman-4-one, oxime
| Molecular Formula | C9H9NOS |
|---|---|
| Molecular Weight | 179.04 g/mol |
| LogP | 2.3607 |
| Topological Polar Surface Area | 32.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 179.04048 |
| Heavy Atoms | 12 |
| Complexity | 322.0595 |
Chemical Identifiers
| CAS Number | 482655-34-5 |
|---|---|
| SMILES | C\1CSC2=CC=CC=C2/C1=N/O |
Product Overview
Thiochroman-4-one oxime (CAS 482655-34-5), with molecular formula C9H9NOS and molecular weight 179.04 g/mol. IUPAC: (NE)-N-(2,3-dihydrothiochromen-4-ylidene)hydroxylamine.
Chemical Property Profile of Thiochroman-4-one oxime
Property Insights of Thiochroman-4-one oxime
The XLogP value of 2.3607 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiochroman-4-one oxime. With a topological polar surface area (TPSA) of 32.59 Ų, Thiochroman-4-one oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiochroman-4-one oxime 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 Thiochroman-4-one oxime?
The CAS number of Thiochroman-4-one oxime is 482655-34-5.
What is the molecular formula of Thiochroman-4-one oxime?
The molecular formula of Thiochroman-4-one oxime is C9H9NOS.
What is the molecular weight of Thiochroman-4-one oxime?
The molecular weight of Thiochroman-4-one oxime is 179.04 g/mol.
Where can I buy Thiochroman-4-one oxime?
You can request a quote for Thiochroman-4-one oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiochroman-4-one oxime?
Yes, KEHONG BIO provides custom synthesis services for Thiochroman-4-one oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.