Pyrimidine-4-methanethiol, hydrochloride
TL;DR: Pyrimidine-4-methanethiol, hydrochloride (CAS 119396-01-9) is a chemical compound with molecular formula C5H7ClN2S and molecular weight 162.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pyrimidin-4-ylmethanethiol;hydrochloride
Also Known As: 4-Thiomethylpyrimidine hydrochloride, Pyrimidine-4-methanethiol, hydrochloride, pyrimidin-4-ylmethanethiol hydrochloride, (Pyrimidin-4-yl)methanethiol--hydrogen chloride (1/1), RefChem:377698
| Molecular Formula | C5H7ClN2S |
|---|---|
| Molecular Weight | 162.00 g/mol |
| LogP | 1.3282 |
| Topological Polar Surface Area | 25.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 162.00185 |
| Heavy Atoms | 9 |
| Complexity | 156.30399 |
Chemical Identifiers
| CAS Number | 119396-01-9 |
|---|---|
| SMILES | C1=CN=CN=C1CS.Cl |
Product Overview
Pyrimidine-4-methanethiol, hydrochloride (CAS 119396-01-9), with molecular formula C5H7ClN2S and molecular weight 162.00 g/mol. IUPAC: pyrimidin-4-ylmethanethiol;hydrochloride.
Chemical Property Profile of Pyrimidine-4-methanethiol, hydrochloride
Property Insights of Pyrimidine-4-methanethiol, hydrochloride
The XLogP value of 1.3282 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrimidine-4-methanethiol, hydrochloride. With a topological polar surface area (TPSA) of 25.78 Ų, Pyrimidine-4-methanethiol, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrimidine-4-methanethiol, hydrochloride 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 Pyrimidine-4-methanethiol, hydrochloride?
The CAS number of Pyrimidine-4-methanethiol, hydrochloride is 119396-01-9.
What is the molecular formula of Pyrimidine-4-methanethiol, hydrochloride?
The molecular formula of Pyrimidine-4-methanethiol, hydrochloride is C5H7ClN2S.
What is the molecular weight of Pyrimidine-4-methanethiol, hydrochloride?
The molecular weight of Pyrimidine-4-methanethiol, hydrochloride is 162.00 g/mol.
Where can I buy Pyrimidine-4-methanethiol, hydrochloride?
You can request a quote for Pyrimidine-4-methanethiol, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrimidine-4-methanethiol, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Pyrimidine-4-methanethiol, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.