4(1H)-Pyrimidinone, 5-chloro-2,3-dihydro-2-thioxo-
TL;DR: 4(1H)-Pyrimidinone, 5-chloro-2,3-dihydro-2-thioxo- (CAS 113138-11-7) is a chemical compound with molecular formula C4H3ClN2OS and molecular weight 161.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: 5-chloro-2-mercapto-4-pyrimidinol, 5-Chloro-2-mercaptopyrimidin-4-ol, 5-chloro-2-sulfanylidene-1H-pyrimidin-4-one, 4(1H)-Pyrimidinone, 5-chloro-2,3-dihydro-2-thioxo-, 5-Chlor-2-thioxo-2,3-dihydro-1H-pyrimidin-4-on
| Molecular Formula | C4H3ClN2OS |
|---|---|
| Molecular Weight | 161.97 g/mol |
| LogP | 1.08589 |
| Topological Polar Surface Area | 48.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 161.96545 |
| Heavy Atoms | 9 |
| Complexity | 314.83395 |
Chemical Identifiers
| CAS Number | 113138-11-7 |
|---|---|
| SMILES | C1=C(C(=O)NC(=S)N1)Cl |
Product Overview
4(1H)-Pyrimidinone, 5-chloro-2,3-dihydro-2-thioxo- (CAS 113138-11-7), with molecular formula C4H3ClN2OS and molecular weight 161.97 g/mol. IUPAC: 5-chloro-2-sulfanylidene-1H-pyrimidin-4-one.
Chemical Property Profile of 4(1H)-Pyrimidinone, 5-chloro-2,3-dihydro-2-thioxo-
Property Insights of 4(1H)-Pyrimidinone, 5-chloro-2,3-dihydro-2-thioxo-
The XLogP value of 1.08589 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4(1H)-Pyrimidinone, 5-chloro-2,3-dihydro-2-thioxo-. With a topological polar surface area (TPSA) of 48.65 Ų, 4(1H)-Pyrimidinone, 5-chloro-2,3-dihydro-2-thioxo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4(1H)-Pyrimidinone, 5-chloro-2,3-dihydro-2-thioxo- has 2 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 4(1H)-Pyrimidinone, 5-chloro-2,3-dihydro-2-thioxo-?
The CAS number of 4(1H)-Pyrimidinone, 5-chloro-2,3-dihydro-2-thioxo- is 113138-11-7.
What is the molecular formula of 4(1H)-Pyrimidinone, 5-chloro-2,3-dihydro-2-thioxo-?
The molecular formula of 4(1H)-Pyrimidinone, 5-chloro-2,3-dihydro-2-thioxo- is C4H3ClN2OS.
What is the molecular weight of 4(1H)-Pyrimidinone, 5-chloro-2,3-dihydro-2-thioxo-?
The molecular weight of 4(1H)-Pyrimidinone, 5-chloro-2,3-dihydro-2-thioxo- is 161.97 g/mol.
Where can I buy 4(1H)-Pyrimidinone, 5-chloro-2,3-dihydro-2-thioxo-?
You can request a quote for 4(1H)-Pyrimidinone, 5-chloro-2,3-dihydro-2-thioxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4(1H)-Pyrimidinone, 5-chloro-2,3-dihydro-2-thioxo-?
Yes, KEHONG BIO provides custom synthesis services for 4(1H)-Pyrimidinone, 5-chloro-2,3-dihydro-2-thioxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.