1H-isothiochromen-4(3H)-one oxime
TL;DR: 1H-isothiochromen-4(3H)-one oxime (CAS 41231-28-1) 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.
(NZ)-N-(1H-isothiochromen-4-ylidene)hydroxylamine
Also Known As: 1H-isothiochromen-4(3H)-one oxime, AO-800/41069641, (NZ)-N-(1H-isothiochromen-4-ylidene)hydroxylamine, N-[(4Z)-3,4-dihydro-1H-2-benzothiopyran-4-ylidene]hydroxylamine
| Molecular Formula | C9H9NOS |
|---|---|
| Molecular Weight | 179.04 g/mol |
| LogP | 2.1117 |
| 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 | 41231-28-1 |
|---|---|
| SMILES | C1C2=CC=CC=C2/C(=N/O)/CS1 |
Product Overview
1H-isothiochromen-4(3H)-one oxime (CAS 41231-28-1), with molecular formula C9H9NOS and molecular weight 179.04 g/mol. IUPAC: (NZ)-N-(1H-isothiochromen-4-ylidene)hydroxylamine.
Chemical Property Profile of 1H-isothiochromen-4(3H)-one oxime
Property Insights of 1H-isothiochromen-4(3H)-one oxime
The XLogP value of 2.1117 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-isothiochromen-4(3H)-one oxime. With a topological polar surface area (TPSA) of 32.59 Ų, 1H-isothiochromen-4(3H)-one oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-isothiochromen-4(3H)-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 1H-isothiochromen-4(3H)-one oxime?
The CAS number of 1H-isothiochromen-4(3H)-one oxime is 41231-28-1.
What is the molecular formula of 1H-isothiochromen-4(3H)-one oxime?
The molecular formula of 1H-isothiochromen-4(3H)-one oxime is C9H9NOS.
What is the molecular weight of 1H-isothiochromen-4(3H)-one oxime?
The molecular weight of 1H-isothiochromen-4(3H)-one oxime is 179.04 g/mol.
Where can I buy 1H-isothiochromen-4(3H)-one oxime?
You can request a quote for 1H-isothiochromen-4(3H)-one oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-isothiochromen-4(3H)-one oxime?
Yes, KEHONG BIO provides custom synthesis services for 1H-isothiochromen-4(3H)-one oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.