3,3-Bis(4-chlorophenyl)-2-benzothiophene-1-thione
TL;DR: 3,3-Bis(4-chlorophenyl)-2-benzothiophene-1-thione (CAS 93702-98-8) is a chemical compound with molecular formula C20H12Cl2S2 and molecular weight 385.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-bis(4-chlorophenyl)-2-benzothiophene-1-thione
Also Known As: 3,3-bis(4-chlorophenyl)-2-benzothiophene-1-thione, NCI60_020987, 3,3-Bis(4-chlorophenyl)-2-benzothiophene-1(3H)-thione, Methyl 3, A,7
| Molecular Formula | C20H12Cl2S2 |
|---|---|
| Molecular Weight | 385.98 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 57.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 385.97574 |
| Heavy Atoms | 24 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 93702-98-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=S)SC2(C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl |
| InChIKey | OTJJSPSKEISBIM-UHFFFAOYSA-N |
Product Overview
3,3-Bis(4-chlorophenyl)-2-benzothiophene-1-thione (CAS 93702-98-8), with molecular formula C20H12Cl2S2 and molecular weight 385.98 g/mol. IUPAC: 3,3-bis(4-chlorophenyl)-2-benzothiophene-1-thione.
Chemical Property Profile of 3,3-Bis(4-chlorophenyl)-2-benzothiophene-1-thione
Property Insights of 3,3-Bis(4-chlorophenyl)-2-benzothiophene-1-thione
The XLogP value of 6.9 indicates that 3,3-Bis(4-chlorophenyl)-2-benzothiophene-1-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, 3,3-Bis(4-chlorophenyl)-2-benzothiophene-1-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Bis(4-chlorophenyl)-2-benzothiophene-1-thione 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-Bis(4-chlorophenyl)-2-benzothiophene-1-thione?
The CAS number of 3,3-Bis(4-chlorophenyl)-2-benzothiophene-1-thione is 93702-98-8.
What is the molecular formula of 3,3-Bis(4-chlorophenyl)-2-benzothiophene-1-thione?
The molecular formula of 3,3-Bis(4-chlorophenyl)-2-benzothiophene-1-thione is C20H12Cl2S2.
What is the molecular weight of 3,3-Bis(4-chlorophenyl)-2-benzothiophene-1-thione?
The molecular weight of 3,3-Bis(4-chlorophenyl)-2-benzothiophene-1-thione is 385.98 g/mol.
Where can I buy 3,3-Bis(4-chlorophenyl)-2-benzothiophene-1-thione?
You can request a quote for 3,3-Bis(4-chlorophenyl)-2-benzothiophene-1-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Bis(4-chlorophenyl)-2-benzothiophene-1-thione?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Bis(4-chlorophenyl)-2-benzothiophene-1-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.