1,3-Benzodithiole-2-thione
TL;DR: 1,3-Benzodithiole-2-thione (CAS 934-36-1) is a chemical compound with molecular formula C7H4S3 and molecular weight 183.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzodithiole-2-thione
Also Known As: 1,3-Benzodithiole-2-thione, 2H-1,3-benzodithiole-2-thione, Benzoisotrithione, 2-(p-n-Butylanilino)adenine, 2-(4-n-Butylanilino)adenine
| Molecular Formula | C7H4S3 |
|---|---|
| Molecular Weight | 183.95 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 82.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 183.94751 |
| Heavy Atoms | 10 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 934-36-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)SC(=S)S2 |
| InChIKey | PTYIRFMMOVOESN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Benzodithiole-2-thione (CAS 934-36-1), with molecular formula C7H4S3 and molecular weight 183.95 g/mol. IUPAC: 1,3-benzodithiole-2-thione.
Chemical Property Profile of 1,3-Benzodithiole-2-thione
Property Insights of 1,3-Benzodithiole-2-thione
The XLogP value of 3.4 indicates that 1,3-Benzodithiole-2-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Benzodithiole-2-thione. Following Lipinski's Rule of Five, 1,3-Benzodithiole-2-thione has 0 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 1,3-Benzodithiole-2-thione?
The CAS number of 1,3-Benzodithiole-2-thione is 934-36-1.
What is the molecular formula of 1,3-Benzodithiole-2-thione?
The molecular formula of 1,3-Benzodithiole-2-thione is C7H4S3.
What is the molecular weight of 1,3-Benzodithiole-2-thione?
The molecular weight of 1,3-Benzodithiole-2-thione is 183.95 g/mol.
Where can I buy 1,3-Benzodithiole-2-thione?
You can request a quote for 1,3-Benzodithiole-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzodithiole-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodithiole-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.