3-(3-pyridinylmethyl)-2-thioxotetrahydro-4H-imidazol-4-one
TL;DR: 3-(3-pyridinylmethyl)-2-thioxotetrahydro-4H-imidazol-4-one (CAS 287197-91-5) is a chemical compound with molecular formula C9H9N3OS and molecular weight 207.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(pyridin-3-ylmethyl)-2-sulfanylideneimidazolidin-4-one
Also Known As: 3-(3-pyridinylmethyl)-2-thioxotetrahydro-4H-imidazol-4-one, 3-(pyridin-3-ylmethyl)-2-thioxoimidazolidin-4-one, 3-[(pyridin-3-yl)methyl]-2-sulfanylideneimidazolidin-4-one, 3-(pyridin-3-ylmethyl)-2-sulfanylideneimidazolidin-4-one, 12M-014
| Molecular Formula | C9H9N3OS |
|---|---|
| Molecular Weight | 207.05 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 77.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 207.04663 |
| Heavy Atoms | 14 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 287197-91-5 |
|---|---|
| SMILES | C1C(=O)N(C(=S)N1)CC2=CN=CC=C2 |
| InChIKey | DKNYMBJPMOSVPU-UHFFFAOYSA-N |
Product Overview
3-(3-pyridinylmethyl)-2-thioxotetrahydro-4H-imidazol-4-one (CAS 287197-91-5), with molecular formula C9H9N3OS and molecular weight 207.05 g/mol. IUPAC: 3-(pyridin-3-ylmethyl)-2-sulfanylideneimidazolidin-4-one.
Chemical Property Profile of 3-(3-pyridinylmethyl)-2-thioxotetrahydro-4H-imidazol-4-one
Property Insights of 3-(3-pyridinylmethyl)-2-thioxotetrahydro-4H-imidazol-4-one
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-pyridinylmethyl)-2-thioxotetrahydro-4H-imidazol-4-one. The TPSA of 77.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-pyridinylmethyl)-2-thioxotetrahydro-4H-imidazol-4-one. Following Lipinski's Rule of Five, 3-(3-pyridinylmethyl)-2-thioxotetrahydro-4H-imidazol-4-one 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 3-(3-pyridinylmethyl)-2-thioxotetrahydro-4H-imidazol-4-one?
The CAS number of 3-(3-pyridinylmethyl)-2-thioxotetrahydro-4H-imidazol-4-one is 287197-91-5.
What is the molecular formula of 3-(3-pyridinylmethyl)-2-thioxotetrahydro-4H-imidazol-4-one?
The molecular formula of 3-(3-pyridinylmethyl)-2-thioxotetrahydro-4H-imidazol-4-one is C9H9N3OS.
What is the molecular weight of 3-(3-pyridinylmethyl)-2-thioxotetrahydro-4H-imidazol-4-one?
The molecular weight of 3-(3-pyridinylmethyl)-2-thioxotetrahydro-4H-imidazol-4-one is 207.05 g/mol.
Where can I buy 3-(3-pyridinylmethyl)-2-thioxotetrahydro-4H-imidazol-4-one?
You can request a quote for 3-(3-pyridinylmethyl)-2-thioxotetrahydro-4H-imidazol-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-pyridinylmethyl)-2-thioxotetrahydro-4H-imidazol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-pyridinylmethyl)-2-thioxotetrahydro-4H-imidazol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.