4-(prop-2-en-1-yl)-3-sulfanyl-4,5-dihydro-1H-1,2,4-triazol-5-one
TL;DR: 4-(prop-2-en-1-yl)-3-sulfanyl-4,5-dihydro-1H-1,2,4-triazol-5-one (CAS 136794-22-4) is a chemical compound with molecular formula C5H7N3OS and molecular weight 157.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-prop-2-enyl-5-sulfanylidene-1,2,4-triazolidin-3-one
Also Known As: Maybridge1_008560, 4-(prop-2-en-1-yl)-3-sulfanyl-4,5-dihydro-1H-1,2,4-triazol-5-one, 4-prop-2-enyl-5-sulfanylidene-1,2,4-triazolidin-3-one, 4-Allyl-3-hydroxy-5-mercapto-1,2,4-triazole, 4-(2-Propen-1-yl)-5-thioxo-1,2,4-triazolidin-3-one
| Molecular Formula | C5H7N3OS |
|---|---|
| Molecular Weight | 157.03 g/mol |
| LogP | 0.41999 |
| Topological Polar Surface Area | 53.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 157.03099 |
| Heavy Atoms | 10 |
| Complexity | 303.65253 |
Chemical Identifiers
| CAS Number | 136794-22-4 |
|---|---|
| SMILES | C=CCN1C(=O)NNC1=S |
Product Overview
4-(prop-2-en-1-yl)-3-sulfanyl-4,5-dihydro-1H-1,2,4-triazol-5-one (CAS 136794-22-4), with molecular formula C5H7N3OS and molecular weight 157.03 g/mol. IUPAC: 4-prop-2-enyl-5-sulfanylidene-1,2,4-triazolidin-3-one.
Chemical Property Profile of 4-(prop-2-en-1-yl)-3-sulfanyl-4,5-dihydro-1H-1,2,4-triazol-5-one
Property Insights of 4-(prop-2-en-1-yl)-3-sulfanyl-4,5-dihydro-1H-1,2,4-triazol-5-one
The XLogP value of 0.41999 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(prop-2-en-1-yl)-3-sulfanyl-4,5-dihydro-1H-1,2,4-triazol-5-one. With a topological polar surface area (TPSA) of 53.58 Ų, 4-(prop-2-en-1-yl)-3-sulfanyl-4,5-dihydro-1H-1,2,4-triazol-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(prop-2-en-1-yl)-3-sulfanyl-4,5-dihydro-1H-1,2,4-triazol-5-one 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-(prop-2-en-1-yl)-3-sulfanyl-4,5-dihydro-1H-1,2,4-triazol-5-one?
The CAS number of 4-(prop-2-en-1-yl)-3-sulfanyl-4,5-dihydro-1H-1,2,4-triazol-5-one is 136794-22-4.
What is the molecular formula of 4-(prop-2-en-1-yl)-3-sulfanyl-4,5-dihydro-1H-1,2,4-triazol-5-one?
The molecular formula of 4-(prop-2-en-1-yl)-3-sulfanyl-4,5-dihydro-1H-1,2,4-triazol-5-one is C5H7N3OS.
What is the molecular weight of 4-(prop-2-en-1-yl)-3-sulfanyl-4,5-dihydro-1H-1,2,4-triazol-5-one?
The molecular weight of 4-(prop-2-en-1-yl)-3-sulfanyl-4,5-dihydro-1H-1,2,4-triazol-5-one is 157.03 g/mol.
Where can I buy 4-(prop-2-en-1-yl)-3-sulfanyl-4,5-dihydro-1H-1,2,4-triazol-5-one?
You can request a quote for 4-(prop-2-en-1-yl)-3-sulfanyl-4,5-dihydro-1H-1,2,4-triazol-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(prop-2-en-1-yl)-3-sulfanyl-4,5-dihydro-1H-1,2,4-triazol-5-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(prop-2-en-1-yl)-3-sulfanyl-4,5-dihydro-1H-1,2,4-triazol-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.