Isothiochromene
TL;DR: Isothiochromene (CAS 253-38-3) is a chemical compound with molecular formula C9H8S and molecular weight 148.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1H-isothiochromene
Also Known As: Isothiochromene, isothiochromen, 1H-isothiochromene, 1H-2-Benzothiopyran, 1H-2-Benzothiopyran(7CI,8CI,9CI)
| Molecular Formula | C9H8S |
|---|---|
| Molecular Weight | 148.03 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 148.03467 |
| Heavy Atoms | 10 |
| Complexity | 140.0 |
Chemical Identifiers
| CAS Number | 253-38-3 |
|---|---|
| SMILES | C1C2=CC=CC=C2C=CS1 |
| InChIKey | HCKPQVQJKBSTHP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isothiochromene (CAS 253-38-3), with molecular formula C9H8S and molecular weight 148.03 g/mol. IUPAC: 1H-isothiochromene.
Chemical Property Profile of Isothiochromene
Property Insights of Isothiochromene
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isothiochromene. With a topological polar surface area (TPSA) of 25.3 Ų, Isothiochromene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isothiochromene 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 Isothiochromene?
The CAS number of Isothiochromene is 253-38-3.
What is the molecular formula of Isothiochromene?
The molecular formula of Isothiochromene is C9H8S.
What is the molecular weight of Isothiochromene?
The molecular weight of Isothiochromene is 148.03 g/mol.
Where can I buy Isothiochromene?
You can request a quote for Isothiochromene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isothiochromene?
Yes, KEHONG BIO provides custom synthesis services for Isothiochromene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.