![1h-Benzo[h]isothiochromen-4(3h)-one structure](/static/products/5281/5281-84-5.webp)
1h-Benzo[h]isothiochromen-4(3h)-one
TL;DR: 1h-Benzo[h]isothiochromen-4(3h)-one (CAS 5281-84-5) is a chemical compound with molecular formula C13H10OS and molecular weight 214.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1H-benzo[h]isothiochromen-4-one
Also Known As: 1h-benzo[h]isothiochromen-4(3h)-one, 1H-benzo[h]isothiochromen-4-one, 1H-Naphtho[1,2-c]thiopyran-4(3H)-one
| Molecular Formula | C13H10OS |
|---|---|
| Molecular Weight | 214.05 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 214.04524 |
| Heavy Atoms | 15 |
| Complexity | 263.0 |
Chemical Identifiers
| CAS Number | 5281-84-5 |
|---|---|
| SMILES | C1C2=C(C=CC3=CC=CC=C23)C(=O)CS1 |
| InChIKey | ONWDVODQWKSKIW-UHFFFAOYSA-N |
Product Overview
1h-Benzo[h]isothiochromen-4(3h)-one (CAS 5281-84-5), with molecular formula C13H10OS and molecular weight 214.05 g/mol. IUPAC: 1H-benzo[h]isothiochromen-4-one.
Chemical Property Profile of 1h-Benzo[h]isothiochromen-4(3h)-one
Property Insights of 1h-Benzo[h]isothiochromen-4(3h)-one
The XLogP value of 3.2 indicates that 1h-Benzo[h]isothiochromen-4(3h)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.4 Ų, 1h-Benzo[h]isothiochromen-4(3h)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1h-Benzo[h]isothiochromen-4(3h)-one has 0 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 1h-Benzo[h]isothiochromen-4(3h)-one?
The CAS number of 1h-Benzo[h]isothiochromen-4(3h)-one is 5281-84-5.
What is the molecular formula of 1h-Benzo[h]isothiochromen-4(3h)-one?
The molecular formula of 1h-Benzo[h]isothiochromen-4(3h)-one is C13H10OS.
What is the molecular weight of 1h-Benzo[h]isothiochromen-4(3h)-one?
The molecular weight of 1h-Benzo[h]isothiochromen-4(3h)-one is 214.05 g/mol.
Where can I buy 1h-Benzo[h]isothiochromen-4(3h)-one?
You can request a quote for 1h-Benzo[h]isothiochromen-4(3h)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1h-Benzo[h]isothiochromen-4(3h)-one?
Yes, KEHONG BIO provides custom synthesis services for 1h-Benzo[h]isothiochromen-4(3h)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.