2-Bromo-4-isopropylphenyl isothiocyanate
TL;DR: 2-Bromo-4-isopropylphenyl isothiocyanate (CAS 246166-33-6) is a chemical compound with molecular formula C10H10BrNS and molecular weight 254.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-1-isothiocyanato-4-propan-2-ylbenzene
Also Known As: 2-Bromo-4-isopropylphenyl isothiocyanate, 2-bromo-4-isopropylphenylisothiocyanate, 2-bromo-4-isopropyl-1-isothiocyanatobenzene, 2-bromo-1-isothiocyanato-4-propan-2-ylbenzene, 8270AD
| Molecular Formula | C10H10BrNS |
|---|---|
| Molecular Weight | 254.97 g/mol |
| LogP | 4.3068 |
| Topological Polar Surface Area | 12.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 254.97173 |
| Heavy Atoms | 13 |
| Complexity | 353.9424 |
Chemical Identifiers
| CAS Number | 246166-33-6 |
|---|---|
| SMILES | CC(C)C1=CC(=C(C=C1)N=C=S)Br |
Product Overview
2-Bromo-4-isopropylphenyl isothiocyanate (CAS 246166-33-6), with molecular formula C10H10BrNS and molecular weight 254.97 g/mol. IUPAC: 2-bromo-1-isothiocyanato-4-propan-2-ylbenzene.
Chemical Property Profile of 2-Bromo-4-isopropylphenyl isothiocyanate
Property Insights of 2-Bromo-4-isopropylphenyl isothiocyanate
The XLogP value of 4.3068 indicates that 2-Bromo-4-isopropylphenyl isothiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.36 Ų, 2-Bromo-4-isopropylphenyl isothiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-4-isopropylphenyl isothiocyanate has 0 hydrogen bond donor(s) and 2 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 2-Bromo-4-isopropylphenyl isothiocyanate?
The CAS number of 2-Bromo-4-isopropylphenyl isothiocyanate is 246166-33-6.
What is the molecular formula of 2-Bromo-4-isopropylphenyl isothiocyanate?
The molecular formula of 2-Bromo-4-isopropylphenyl isothiocyanate is C10H10BrNS.
What is the molecular weight of 2-Bromo-4-isopropylphenyl isothiocyanate?
The molecular weight of 2-Bromo-4-isopropylphenyl isothiocyanate is 254.97 g/mol.
Where can I buy 2-Bromo-4-isopropylphenyl isothiocyanate?
You can request a quote for 2-Bromo-4-isopropylphenyl isothiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-4-isopropylphenyl isothiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-4-isopropylphenyl isothiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.