5-Chloro-2(1H)-pyrimidinethione
TL;DR: 5-Chloro-2(1H)-pyrimidinethione (CAS 34772-97-9) is a chemical compound with molecular formula C4H3ClN2S and molecular weight 145.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-1H-pyrimidine-2-thione
Also Known As: 5-Chloropyrimidine-2(1H)-thione, 5-chloropyrimidine-2-thiol, 5-chloro-1H-pyrimidine-2-thione, 5-Chloropyrimidine-2-thione, 5-Chloro-2-mercaptopyrimidine
| Molecular Formula | C4H3ClN2S |
|---|---|
| Molecular Weight | 145.97 g/mol |
| LogP | 1.79259 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 145.97055 |
| Heavy Atoms | 8 |
| Complexity | 211.22997 |
Chemical Identifiers
| CAS Number | 34772-97-9 |
|---|---|
| SMILES | C1=C(C=NC(=S)N1)Cl |
Product Overview
5-Chloro-2(1H)-pyrimidinethione (CAS 34772-97-9), with molecular formula C4H3ClN2S and molecular weight 145.97 g/mol. IUPAC: 5-chloro-1H-pyrimidine-2-thione.
Chemical Property Profile of 5-Chloro-2(1H)-pyrimidinethione
Property Insights of 5-Chloro-2(1H)-pyrimidinethione
The XLogP value of 1.79259 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-2(1H)-pyrimidinethione. With a topological polar surface area (TPSA) of 28.68 Ų, 5-Chloro-2(1H)-pyrimidinethione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-2(1H)-pyrimidinethione has 1 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 5-Chloro-2(1H)-pyrimidinethione?
The CAS number of 5-Chloro-2(1H)-pyrimidinethione is 34772-97-9.
What is the molecular formula of 5-Chloro-2(1H)-pyrimidinethione?
The molecular formula of 5-Chloro-2(1H)-pyrimidinethione is C4H3ClN2S.
What is the molecular weight of 5-Chloro-2(1H)-pyrimidinethione?
The molecular weight of 5-Chloro-2(1H)-pyrimidinethione is 145.97 g/mol.
Where can I buy 5-Chloro-2(1H)-pyrimidinethione?
You can request a quote for 5-Chloro-2(1H)-pyrimidinethione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-2(1H)-pyrimidinethione?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-2(1H)-pyrimidinethione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.