Isothiochroman
TL;DR: Isothiochroman (CAS 4426-75-9) is a chemical compound with molecular formula C9H10S and molecular weight 150.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dihydro-1H-isothiochromene
Also Known As: Isothiochroman, Thioisochroman, isothiochromane, 3,4-Dihydro-1H-isothiochromene, 3,4-Dihydro-1H-2-benzothiopyran
| Molecular Formula | C9H10S |
|---|---|
| Molecular Weight | 150.05 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 150.05032 |
| Heavy Atoms | 10 |
| Complexity | 111.0 |
Chemical Identifiers
| CAS Number | 4426-75-9 |
|---|---|
| SMILES | C1CSCC2=CC=CC=C21 |
| InChIKey | ZZQUQFZVCJWSER-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isothiochroman (CAS 4426-75-9), with molecular formula C9H10S and molecular weight 150.05 g/mol. IUPAC: 3,4-dihydro-1H-isothiochromene.
Chemical Property Profile of Isothiochroman
Property Insights of Isothiochroman
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isothiochroman. With a topological polar surface area (TPSA) of 25.3 Ų, Isothiochroman exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isothiochroman has 0 hydrogen bond donor(s) and 1 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 Isothiochroman?
The CAS number of Isothiochroman is 4426-75-9.
What is the molecular formula of Isothiochroman?
The molecular formula of Isothiochroman is C9H10S.
What is the molecular weight of Isothiochroman?
The molecular weight of Isothiochroman is 150.05 g/mol.
Where can I buy Isothiochroman?
You can request a quote for Isothiochroman directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isothiochroman?
Yes, KEHONG BIO provides custom synthesis services for Isothiochroman and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.