1,3-dibromo-2-tert-butylsulfanylbenzene
TL;DR: 1,3-dibromo-2-tert-butylsulfanylbenzene (CAS 62261-15-8) is a chemical compound with molecular formula C10H12Br2S and molecular weight 321.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dibromo-2-tert-butylsulfanylbenzene
Also Known As: 1,3-dibromo-2-tert-butylsulfanylbenzene, 2-(tert-butylthio)-1,3-dibromobenzene, t-butyl 2,6-dibromophenyl sulfide, 1,3-Dibromo-2-tert-butylsulfanyl-benzene, BAS 00529345
| Molecular Formula | C10H12Br2S |
|---|---|
| Molecular Weight | 321.90 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 321.90265 |
| Heavy Atoms | 13 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 62261-15-8 |
|---|---|
| SMILES | CC(C)(C)SC1=C(C=CC=C1Br)Br |
| InChIKey | OEAWXVSJOXPPEI-UHFFFAOYSA-N |
Product Overview
1,3-dibromo-2-tert-butylsulfanylbenzene (CAS 62261-15-8), with molecular formula C10H12Br2S and molecular weight 321.90 g/mol. IUPAC: 1,3-dibromo-2-tert-butylsulfanylbenzene.
Chemical Property Profile of 1,3-dibromo-2-tert-butylsulfanylbenzene
Property Insights of 1,3-dibromo-2-tert-butylsulfanylbenzene
The XLogP value of 4.8 indicates that 1,3-dibromo-2-tert-butylsulfanylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, 1,3-dibromo-2-tert-butylsulfanylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-dibromo-2-tert-butylsulfanylbenzene 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 1,3-dibromo-2-tert-butylsulfanylbenzene?
The CAS number of 1,3-dibromo-2-tert-butylsulfanylbenzene is 62261-15-8.
What is the molecular formula of 1,3-dibromo-2-tert-butylsulfanylbenzene?
The molecular formula of 1,3-dibromo-2-tert-butylsulfanylbenzene is C10H12Br2S.
What is the molecular weight of 1,3-dibromo-2-tert-butylsulfanylbenzene?
The molecular weight of 1,3-dibromo-2-tert-butylsulfanylbenzene is 321.90 g/mol.
Where can I buy 1,3-dibromo-2-tert-butylsulfanylbenzene?
You can request a quote for 1,3-dibromo-2-tert-butylsulfanylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-dibromo-2-tert-butylsulfanylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1,3-dibromo-2-tert-butylsulfanylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.