2-(1,4,5,6-Tetrahydropyrimidin-2-yl)benzenethiol
TL;DR: 2-(1,4,5,6-Tetrahydropyrimidin-2-yl)benzenethiol (CAS 53440-32-7) is a chemical compound with molecular formula C10H12N2S and molecular weight 192.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,4,5,6-tetrahydropyrimidin-2-yl)benzenethiol
Also Known As: 2-(1,4,5,6-Tetrahydropyrimidin-2-yl)benzenethiol, 2-(1,4,5,6-Tetrahydro-2-pyrimidinyl)benzenethiol, 2- BENZENETHIOL, tetrahydropyrimidinylbenzenethiol, 5095AE
| Molecular Formula | C10H12N2S |
|---|---|
| Molecular Weight | 192.07 g/mol |
| LogP | 1.7152 |
| Topological Polar Surface Area | 24.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 192.07211 |
| Heavy Atoms | 13 |
| Complexity | 333.45157 |
Chemical Identifiers
| CAS Number | 53440-32-7 |
|---|---|
| SMILES | C1CNC(=NC1)C2=CC=CC=C2S |
Product Overview
2-(1,4,5,6-Tetrahydropyrimidin-2-yl)benzenethiol (CAS 53440-32-7), with molecular formula C10H12N2S and molecular weight 192.07 g/mol. IUPAC: 2-(1,4,5,6-tetrahydropyrimidin-2-yl)benzenethiol.
Chemical Property Profile of 2-(1,4,5,6-Tetrahydropyrimidin-2-yl)benzenethiol
Property Insights of 2-(1,4,5,6-Tetrahydropyrimidin-2-yl)benzenethiol
The XLogP value of 1.7152 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,4,5,6-Tetrahydropyrimidin-2-yl)benzenethiol. With a topological polar surface area (TPSA) of 24.39 Ų, 2-(1,4,5,6-Tetrahydropyrimidin-2-yl)benzenethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,4,5,6-Tetrahydropyrimidin-2-yl)benzenethiol has 2 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 2-(1,4,5,6-Tetrahydropyrimidin-2-yl)benzenethiol?
The CAS number of 2-(1,4,5,6-Tetrahydropyrimidin-2-yl)benzenethiol is 53440-32-7.
What is the molecular formula of 2-(1,4,5,6-Tetrahydropyrimidin-2-yl)benzenethiol?
The molecular formula of 2-(1,4,5,6-Tetrahydropyrimidin-2-yl)benzenethiol is C10H12N2S.
What is the molecular weight of 2-(1,4,5,6-Tetrahydropyrimidin-2-yl)benzenethiol?
The molecular weight of 2-(1,4,5,6-Tetrahydropyrimidin-2-yl)benzenethiol is 192.07 g/mol.
Where can I buy 2-(1,4,5,6-Tetrahydropyrimidin-2-yl)benzenethiol?
You can request a quote for 2-(1,4,5,6-Tetrahydropyrimidin-2-yl)benzenethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,4,5,6-Tetrahydropyrimidin-2-yl)benzenethiol?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,4,5,6-Tetrahydropyrimidin-2-yl)benzenethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.