2-Thiocytosine
TL;DR: 2-Thiocytosine (CAS 1189464-68-3) is a chemical compound with molecular formula C4H5N3S and molecular weight 127.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-1H-pyrimidine-2-thione
Also Known As: 2-Thiocytosine, 4-Amino-2-mercaptopyrimidine, 4-Aminopyrimidine-2-thiol, Thiocytosine, Cytosine, thio-
| Molecular Formula | C4H5N3S |
|---|---|
| Molecular Weight | 127.02 g/mol |
| LogP | 0.72139 |
| Topological Polar Surface Area | 54.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 127.02042 |
| Heavy Atoms | 8 |
| Complexity | 228.72507 |
Chemical Identifiers
| CAS Number | 1189464-68-3 |
|---|---|
| SMILES | C1=C(NC(=S)N=C1)N |
Product Overview
2-Thiocytosine (CAS 1189464-68-3), with molecular formula C4H5N3S and molecular weight 127.02 g/mol. IUPAC: 6-amino-1H-pyrimidine-2-thione.
Chemical Property Profile of 2-Thiocytosine
Property Insights of 2-Thiocytosine
The XLogP value of 0.72139 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Thiocytosine. With a topological polar surface area (TPSA) of 54.7 Ų, 2-Thiocytosine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Thiocytosine 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-Thiocytosine?
The CAS number of 2-Thiocytosine is 1189464-68-3.
What is the molecular formula of 2-Thiocytosine?
The molecular formula of 2-Thiocytosine is C4H5N3S.
What is the molecular weight of 2-Thiocytosine?
The molecular weight of 2-Thiocytosine is 127.02 g/mol.
Where can I buy 2-Thiocytosine?
You can request a quote for 2-Thiocytosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Thiocytosine?
Yes, KEHONG BIO provides custom synthesis services for 2-Thiocytosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.