2H-1-benzothiopyran-2-thione
TL;DR: 2H-1-benzothiopyran-2-thione (CAS 2054-33-3) is a chemical compound with molecular formula C9H6S2 and molecular weight 177.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
thiochromene-2-thione
Also Known As: dithiocoumarin, 2H-thiochromene-2-thione, Thiochromen-2-thion, 2H-1-benzothiopyran-2-thione, thiochromene-2-thione
| Molecular Formula | C9H6S2 |
|---|---|
| Molecular Weight | 177.99 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 57.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 177.99109 |
| Heavy Atoms | 11 |
| Complexity | 196.0 |
Chemical Identifiers
| CAS Number | 2054-33-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC(=S)S2 |
| InChIKey | ZOVFLKOKOZVLQC-UHFFFAOYSA-N |
Product Overview
2H-1-benzothiopyran-2-thione (CAS 2054-33-3), with molecular formula C9H6S2 and molecular weight 177.99 g/mol. IUPAC: thiochromene-2-thione.
Chemical Property Profile of 2H-1-benzothiopyran-2-thione
Property Insights of 2H-1-benzothiopyran-2-thione
The XLogP value of 3.0 indicates that 2H-1-benzothiopyran-2-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.4 Ų, 2H-1-benzothiopyran-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1-benzothiopyran-2-thione 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 2H-1-benzothiopyran-2-thione?
The CAS number of 2H-1-benzothiopyran-2-thione is 2054-33-3.
What is the molecular formula of 2H-1-benzothiopyran-2-thione?
The molecular formula of 2H-1-benzothiopyran-2-thione is C9H6S2.
What is the molecular weight of 2H-1-benzothiopyran-2-thione?
The molecular weight of 2H-1-benzothiopyran-2-thione is 177.99 g/mol.
Where can I buy 2H-1-benzothiopyran-2-thione?
You can request a quote for 2H-1-benzothiopyran-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1-benzothiopyran-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 2H-1-benzothiopyran-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.