Bis(3,4,5-trichlorothiophen-2-yl)methanone
TL;DR: Bis(3,4,5-trichlorothiophen-2-yl)methanone (CAS 81730-16-7) is a chemical compound with molecular formula C9Cl6OS2 and molecular weight 397.75 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(3,4,5-trichlorothiophen-2-yl)methanone
Also Known As: C9Cl6OS2, bis(3,4,5-trichlorothiophen-2-yl)methanone, Bis(3,4,5-trichloro-2-thienyl)methanone, Bis(3,4,5-trichloro-2-thienyl)methanone #, Methanone, bis(3,4,5-trichloro-2-thienyl)-
| Molecular Formula | C9Cl6OS2 |
|---|---|
| Molecular Weight | 397.75 g/mol |
| LogP | 7.7 |
| Topological Polar Surface Area | 73.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 397.75217 |
| Heavy Atoms | 18 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 81730-16-7 |
|---|---|
| SMILES | C1(=C(SC(=C1Cl)Cl)C(=O)C2=C(C(=C(S2)Cl)Cl)Cl)Cl |
| InChIKey | DKBYFYMQZIMUAH-UHFFFAOYSA-N |
Product Overview
Bis(3,4,5-trichlorothiophen-2-yl)methanone (CAS 81730-16-7), with molecular formula C9Cl6OS2 and molecular weight 397.75 g/mol. IUPAC: bis(3,4,5-trichlorothiophen-2-yl)methanone.
Chemical Property Profile of Bis(3,4,5-trichlorothiophen-2-yl)methanone
Property Insights of Bis(3,4,5-trichlorothiophen-2-yl)methanone
The XLogP value of 7.7 indicates that Bis(3,4,5-trichlorothiophen-2-yl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Bis(3,4,5-trichlorothiophen-2-yl)methanone. Following Lipinski's Rule of Five, Bis(3,4,5-trichlorothiophen-2-yl)methanone has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bis(3,4,5-trichlorothiophen-2-yl)methanone?
The CAS number of Bis(3,4,5-trichlorothiophen-2-yl)methanone is 81730-16-7.
What is the molecular formula of Bis(3,4,5-trichlorothiophen-2-yl)methanone?
The molecular formula of Bis(3,4,5-trichlorothiophen-2-yl)methanone is C9Cl6OS2.
What is the molecular weight of Bis(3,4,5-trichlorothiophen-2-yl)methanone?
The molecular weight of Bis(3,4,5-trichlorothiophen-2-yl)methanone is 397.75 g/mol.
Where can I buy Bis(3,4,5-trichlorothiophen-2-yl)methanone?
You can request a quote for Bis(3,4,5-trichlorothiophen-2-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(3,4,5-trichlorothiophen-2-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for Bis(3,4,5-trichlorothiophen-2-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.