4,5,6,7-tetrahydro-3H-1,2-benzodithiole-3-thione
TL;DR: 4,5,6,7-tetrahydro-3H-1,2-benzodithiole-3-thione (CAS 140859-14-9) is a chemical compound with molecular formula C7H8S3 and molecular weight 187.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5,6,7-tetrahydro-1,2-benzodithiole-3-thione
Also Known As: 4,5,6,7-Tetrahydro-benzo[1,2]dithiole-3-thione, Cytidine, 2'-deoxy-2'-cyano-, 4,5,6,7-tetrahydro-3H-1,2-benzodithiole-3-thione, Tetrahydro-1,2-benzodithiole-3-thione, 4,5,6,7-TETRAHYDRO-1,2-BENZODITHIOLE-3-THIONE
| Molecular Formula | C7H8S3 |
|---|---|
| Molecular Weight | 187.98 g/mol |
| LogP | 3.41789 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 187.97882 |
| Heavy Atoms | 10 |
| Complexity | 281.28647 |
Chemical Identifiers
| CAS Number | 140859-14-9 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=S)SS2 |
Product Overview
4,5,6,7-tetrahydro-3H-1,2-benzodithiole-3-thione (CAS 140859-14-9), with molecular formula C7H8S3 and molecular weight 187.98 g/mol. IUPAC: 4,5,6,7-tetrahydro-1,2-benzodithiole-3-thione.
Chemical Property Profile of 4,5,6,7-tetrahydro-3H-1,2-benzodithiole-3-thione
Property Insights of 4,5,6,7-tetrahydro-3H-1,2-benzodithiole-3-thione
The XLogP value of 3.41789 indicates that 4,5,6,7-tetrahydro-3H-1,2-benzodithiole-3-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 4,5,6,7-tetrahydro-3H-1,2-benzodithiole-3-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5,6,7-tetrahydro-3H-1,2-benzodithiole-3-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 4,5,6,7-tetrahydro-3H-1,2-benzodithiole-3-thione?
The CAS number of 4,5,6,7-tetrahydro-3H-1,2-benzodithiole-3-thione is 140859-14-9.
What is the molecular formula of 4,5,6,7-tetrahydro-3H-1,2-benzodithiole-3-thione?
The molecular formula of 4,5,6,7-tetrahydro-3H-1,2-benzodithiole-3-thione is C7H8S3.
What is the molecular weight of 4,5,6,7-tetrahydro-3H-1,2-benzodithiole-3-thione?
The molecular weight of 4,5,6,7-tetrahydro-3H-1,2-benzodithiole-3-thione is 187.98 g/mol.
Where can I buy 4,5,6,7-tetrahydro-3H-1,2-benzodithiole-3-thione?
You can request a quote for 4,5,6,7-tetrahydro-3H-1,2-benzodithiole-3-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5,6,7-tetrahydro-3H-1,2-benzodithiole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 4,5,6,7-tetrahydro-3H-1,2-benzodithiole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.