2-Bromo-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
TL;DR: 2-Bromo-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile (CAS 757196-84-2) is a chemical compound with molecular formula C9H8BrNS and molecular weight 240.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Also Known As: 2-bromo-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile, 2-bromo-4,5,6,7-tetrahydroBenzo[b]thiophene-3-carbonitrile, Benzo[b]thiophene-3-carbonitrile, 2-bromo-4,5,6,7-tetrahydro-
| Molecular Formula | C9H8BrNS |
|---|---|
| Molecular Weight | 240.96 g/mol |
| LogP | 3.26108 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 240.95609 |
| Heavy Atoms | 12 |
| Complexity | 348.14587 |
Chemical Identifiers
| CAS Number | 757196-84-2 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)Br)C#N |
Product Overview
2-Bromo-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile (CAS 757196-84-2), with molecular formula C9H8BrNS and molecular weight 240.96 g/mol. IUPAC: 2-bromo-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile.
Chemical Property Profile of 2-Bromo-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Property Insights of 2-Bromo-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
The XLogP value of 3.26108 indicates that 2-Bromo-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.79 Ų, 2-Bromo-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile 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-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile?
The CAS number of 2-Bromo-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile is 757196-84-2.
What is the molecular formula of 2-Bromo-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile?
The molecular formula of 2-Bromo-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile is C9H8BrNS.
What is the molecular weight of 2-Bromo-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile?
The molecular weight of 2-Bromo-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile is 240.96 g/mol.
Where can I buy 2-Bromo-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile?
You can request a quote for 2-Bromo-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.