苯并(b)噻吩-2-甲腈
TL;DR: 苯并(b)噻吩-2-甲腈 (CAS 55219-11-9) is a chemical compound with molecular formula C9H5NS and molecular weight 159.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯并(b)噻吩-2-甲腈
1-benzothiophene-2-carbonitrile
Also Known As: benzo[b]thiophene-2-carbonitrile, 2-Cyanobenzothiophene, Benzothiophene-2-carbonitrile, 1-benzothiophene-2-carbonitrile, 1-benzothiophen-2-carbonitril
| Molecular Formula | C9H5NS |
|---|---|
| Molecular Weight | 159.01 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 159.01427 |
| Heavy Atoms | 11 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 55219-11-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(S2)C#N |
| InChIKey | RCYHXESNWFYTCU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯并(b)噻吩-2-甲腈 (CAS 55219-11-9), with molecular formula C9H5NS and molecular weight 159.01 g/mol. IUPAC: 1-benzothiophene-2-carbonitrile.
Chemical Property Profile of 苯并(b)噻吩-2-甲腈
Property Insights of 苯并(b)噻吩-2-甲腈
The XLogP value of 3.0 indicates that 苯并(b)噻吩-2-甲腈 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.0 Ų, 苯并(b)噻吩-2-甲腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯并(b)噻吩-2-甲腈 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 苯并(b)噻吩-2-甲腈?
The CAS number of 苯并(b)噻吩-2-甲腈 is 55219-11-9.
What is the molecular formula of 苯并(b)噻吩-2-甲腈?
The molecular formula of 苯并(b)噻吩-2-甲腈 is C9H5NS.
What is the molecular weight of 苯并(b)噻吩-2-甲腈?
The molecular weight of 苯并(b)噻吩-2-甲腈 is 159.01 g/mol.
Where can I buy 苯并(b)噻吩-2-甲腈?
You can request a quote for 苯并(b)噻吩-2-甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯并(b)噻吩-2-甲腈?
Yes, KEHONG BIO provides custom synthesis services for 苯并(b)噻吩-2-甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.