Benzene, ((2,2-dibromocyclopropyl)thio)-
TL;DR: Benzene, ((2,2-dibromocyclopropyl)thio)- (CAS 54061-23-3) is a chemical compound with molecular formula C9H8Br2S and molecular weight 305.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,2-dibromocyclopropyl)sulfanylbenzene
Also Known As: Benzene, [(2,2-dibromocyclopropyl)thio]-, (2,2-dibromocyclopropyl)sulfanylbenzene, [(2,2-Dibromocyclopropyl)sulfanyl]benzene, 1,1-Dibromo-2-(phenylthio)cyclopropane, Benzene, ((2,2-dibromocyclopropyl)thio)-
| Molecular Formula | C9H8Br2S |
|---|---|
| Molecular Weight | 305.87 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 305.87134 |
| Heavy Atoms | 12 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 54061-23-3 |
|---|---|
| SMILES | C1C(C1(Br)Br)SC2=CC=CC=C2 |
| InChIKey | KAZZBDXDOQZJKY-UHFFFAOYSA-N |
Product Overview
Benzene, ((2,2-dibromocyclopropyl)thio)- (CAS 54061-23-3), with molecular formula C9H8Br2S and molecular weight 305.87 g/mol. IUPAC: (2,2-dibromocyclopropyl)sulfanylbenzene.
Chemical Property Profile of Benzene, ((2,2-dibromocyclopropyl)thio)-
Property Insights of Benzene, ((2,2-dibromocyclopropyl)thio)-
The XLogP value of 4.1 indicates that Benzene, ((2,2-dibromocyclopropyl)thio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, Benzene, ((2,2-dibromocyclopropyl)thio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, ((2,2-dibromocyclopropyl)thio)- has 0 hydrogen bond donor(s) and 1 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 Benzene, ((2,2-dibromocyclopropyl)thio)-?
The CAS number of Benzene, ((2,2-dibromocyclopropyl)thio)- is 54061-23-3.
What is the molecular formula of Benzene, ((2,2-dibromocyclopropyl)thio)-?
The molecular formula of Benzene, ((2,2-dibromocyclopropyl)thio)- is C9H8Br2S.
What is the molecular weight of Benzene, ((2,2-dibromocyclopropyl)thio)-?
The molecular weight of Benzene, ((2,2-dibromocyclopropyl)thio)- is 305.87 g/mol.
Where can I buy Benzene, ((2,2-dibromocyclopropyl)thio)-?
You can request a quote for Benzene, ((2,2-dibromocyclopropyl)thio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, ((2,2-dibromocyclopropyl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, ((2,2-dibromocyclopropyl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.