4-(1-Benzothiophen-2-yl)-2-pyrimidinethiol
TL;DR: 4-(1-Benzothiophen-2-yl)-2-pyrimidinethiol (CAS 866049-73-2) is a chemical compound with molecular formula C12H8N2S2 and molecular weight 244.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(1-benzothiophen-2-yl)-1H-pyrimidine-2-thione
Also Known As: 4-(1-benzothiophen-2-yl)-2-pyrimidinethiol, benzothiophenylpyrimidinethiol, 4-(1-benzothiophen-2-yl)pyrimidine-2-thiol, 6-(1-benzothiophen-2-yl)-1H-pyrimidine-2-thione, 4-benzo[b]thiophen-2-ylpyrimidine-2-thiol
| Molecular Formula | C12H8N2S2 |
|---|---|
| Molecular Weight | 244.01 g/mol |
| LogP | 4.02089 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 244.0129 |
| Heavy Atoms | 16 |
| Complexity | 664.0602 |
Chemical Identifiers
| CAS Number | 866049-73-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(S2)C3=CC=NC(=S)N3 |
Product Overview
4-(1-Benzothiophen-2-yl)-2-pyrimidinethiol (CAS 866049-73-2), with molecular formula C12H8N2S2 and molecular weight 244.01 g/mol. IUPAC: 6-(1-benzothiophen-2-yl)-1H-pyrimidine-2-thione.
Chemical Property Profile of 4-(1-Benzothiophen-2-yl)-2-pyrimidinethiol
Property Insights of 4-(1-Benzothiophen-2-yl)-2-pyrimidinethiol
The XLogP value of 4.02089 indicates that 4-(1-Benzothiophen-2-yl)-2-pyrimidinethiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.68 Ų, 4-(1-Benzothiophen-2-yl)-2-pyrimidinethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1-Benzothiophen-2-yl)-2-pyrimidinethiol has 1 hydrogen bond donor(s) and 3 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 4-(1-Benzothiophen-2-yl)-2-pyrimidinethiol?
The CAS number of 4-(1-Benzothiophen-2-yl)-2-pyrimidinethiol is 866049-73-2.
What is the molecular formula of 4-(1-Benzothiophen-2-yl)-2-pyrimidinethiol?
The molecular formula of 4-(1-Benzothiophen-2-yl)-2-pyrimidinethiol is C12H8N2S2.
What is the molecular weight of 4-(1-Benzothiophen-2-yl)-2-pyrimidinethiol?
The molecular weight of 4-(1-Benzothiophen-2-yl)-2-pyrimidinethiol is 244.01 g/mol.
Where can I buy 4-(1-Benzothiophen-2-yl)-2-pyrimidinethiol?
You can request a quote for 4-(1-Benzothiophen-2-yl)-2-pyrimidinethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1-Benzothiophen-2-yl)-2-pyrimidinethiol?
Yes, KEHONG BIO provides custom synthesis services for 4-(1-Benzothiophen-2-yl)-2-pyrimidinethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.