3,4-Dihydro-2(1H)-pyrimidinethione
TL;DR: 3,4-Dihydro-2(1H)-pyrimidinethione (CAS 86425-08-3) is a chemical compound with molecular formula C4H6N2S and molecular weight 114.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dihydro-1H-pyrimidine-2-thione
Also Known As: 4H-2-pyrimidinethiol, 1H 4H-2-pyrimidinethiol, 3,4-dihydropyrimidine-2(1h)-thione, 3,4-dihydro-1H-pyrimidine-2-thione, 3,4-dihydro-2(1h)-pyrimidinethione
| Molecular Formula | C4H6N2S |
|---|---|
| Molecular Weight | 114.03 g/mol |
| LogP | -0.0222 |
| Topological Polar Surface Area | 24.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 114.02517 |
| Heavy Atoms | 7 |
| Complexity | 108.25742 |
Chemical Identifiers
| CAS Number | 86425-08-3 |
|---|---|
| SMILES | C1C=CNC(=S)N1 |
Product Overview
3,4-Dihydro-2(1H)-pyrimidinethione (CAS 86425-08-3), with molecular formula C4H6N2S and molecular weight 114.03 g/mol. IUPAC: 3,4-dihydro-1H-pyrimidine-2-thione.
Chemical Property Profile of 3,4-Dihydro-2(1H)-pyrimidinethione
Property Insights of 3,4-Dihydro-2(1H)-pyrimidinethione
The XLogP value of -0.0222 indicates that 3,4-Dihydro-2(1H)-pyrimidinethione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 24.06 Ų, 3,4-Dihydro-2(1H)-pyrimidinethione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dihydro-2(1H)-pyrimidinethione has 2 hydrogen bond donor(s) and 1 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 3,4-Dihydro-2(1H)-pyrimidinethione?
The CAS number of 3,4-Dihydro-2(1H)-pyrimidinethione is 86425-08-3.
What is the molecular formula of 3,4-Dihydro-2(1H)-pyrimidinethione?
The molecular formula of 3,4-Dihydro-2(1H)-pyrimidinethione is C4H6N2S.
What is the molecular weight of 3,4-Dihydro-2(1H)-pyrimidinethione?
The molecular weight of 3,4-Dihydro-2(1H)-pyrimidinethione is 114.03 g/mol.
Where can I buy 3,4-Dihydro-2(1H)-pyrimidinethione?
You can request a quote for 3,4-Dihydro-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 3,4-Dihydro-2(1H)-pyrimidinethione?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dihydro-2(1H)-pyrimidinethione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.