3-Allyl-1-methyl-2-thioxoimidazolidin-4-one
TL;DR: 3-Allyl-1-methyl-2-thioxoimidazolidin-4-one (CAS 97403-83-3) is a chemical compound with molecular formula C7H10N2OS and molecular weight 170.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
Also Known As: 3-Allyl-1-methyl-2-thioxoimidazolidin-4-one, EINECS 306-745-0, 1-METHYL-3-(PROP-2-EN-1-YL)-2-SULFANYLIDENEIMIDAZOLIDIN-4-ONE, 3-Allyl-1-methyl-2-thioxo-imidazolidin-4-one, 1-methyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
| Molecular Formula | C7H10N2OS |
|---|---|
| Molecular Weight | 170.05 g/mol |
| LogP | 0.2313 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.05139 |
| Heavy Atoms | 11 |
| Complexity | 214.48611 |
Chemical Identifiers
| CAS Number | 97403-83-3 |
|---|---|
| SMILES | CN1CC(=O)N(C1=S)CC=C |
Product Overview
3-Allyl-1-methyl-2-thioxoimidazolidin-4-one (CAS 97403-83-3), with molecular formula C7H10N2OS and molecular weight 170.05 g/mol. IUPAC: 1-methyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one.
Chemical Property Profile of 3-Allyl-1-methyl-2-thioxoimidazolidin-4-one
Property Insights of 3-Allyl-1-methyl-2-thioxoimidazolidin-4-one
The XLogP value of 0.2313 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Allyl-1-methyl-2-thioxoimidazolidin-4-one. With a topological polar surface area (TPSA) of 23.55 Ų, 3-Allyl-1-methyl-2-thioxoimidazolidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Allyl-1-methyl-2-thioxoimidazolidin-4-one has 0 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 3-Allyl-1-methyl-2-thioxoimidazolidin-4-one?
The CAS number of 3-Allyl-1-methyl-2-thioxoimidazolidin-4-one is 97403-83-3.
What is the molecular formula of 3-Allyl-1-methyl-2-thioxoimidazolidin-4-one?
The molecular formula of 3-Allyl-1-methyl-2-thioxoimidazolidin-4-one is C7H10N2OS.
What is the molecular weight of 3-Allyl-1-methyl-2-thioxoimidazolidin-4-one?
The molecular weight of 3-Allyl-1-methyl-2-thioxoimidazolidin-4-one is 170.05 g/mol.
Where can I buy 3-Allyl-1-methyl-2-thioxoimidazolidin-4-one?
You can request a quote for 3-Allyl-1-methyl-2-thioxoimidazolidin-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-Allyl-1-methyl-2-thioxoimidazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Allyl-1-methyl-2-thioxoimidazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.