3,3-diphenyldithiophthalide
TL;DR: 3,3-diphenyldithiophthalide (CAS 55548-99-7) is a chemical compound with molecular formula C20H14S2 and molecular weight 318.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-diphenyl-2-benzothiophene-1-thione
Also Known As: 3,3-diphenyldithiophthalide, 3,3-diphenyl-2-benzothiophene-1-thione, 3,3-Diphenylbenzo[c]thiophene-1-thione, 3,3-diphenyl-2-benzothiophene-1(3H)-thione, 3,3-diphenylbenzo[c]thiophene-1(3h)-thione
| Molecular Formula | C20H14S2 |
|---|---|
| Molecular Weight | 318.05 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 57.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 318.05368 |
| Heavy Atoms | 22 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 55548-99-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2(C3=CC=CC=C3C(=S)S2)C4=CC=CC=C4 |
| InChIKey | WTFAKQKABURDBN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3-diphenyldithiophthalide (CAS 55548-99-7), with molecular formula C20H14S2 and molecular weight 318.05 g/mol. IUPAC: 3,3-diphenyl-2-benzothiophene-1-thione.
Chemical Property Profile of 3,3-diphenyldithiophthalide
Property Insights of 3,3-diphenyldithiophthalide
The XLogP value of 5.7 indicates that 3,3-diphenyldithiophthalide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.4 Ų, 3,3-diphenyldithiophthalide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-diphenyldithiophthalide has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,3-diphenyldithiophthalide?
The CAS number of 3,3-diphenyldithiophthalide is 55548-99-7.
What is the molecular formula of 3,3-diphenyldithiophthalide?
The molecular formula of 3,3-diphenyldithiophthalide is C20H14S2.
What is the molecular weight of 3,3-diphenyldithiophthalide?
The molecular weight of 3,3-diphenyldithiophthalide is 318.05 g/mol.
Where can I buy 3,3-diphenyldithiophthalide?
You can request a quote for 3,3-diphenyldithiophthalide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-diphenyldithiophthalide?
Yes, KEHONG BIO provides custom synthesis services for 3,3-diphenyldithiophthalide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.