3-(2-hydroxypropan-2-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
TL;DR: 3-(2-hydroxypropan-2-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione (CAS 590352-14-0) is a chemical compound with molecular formula C8H13N3OS and molecular weight 199.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-hydroxypropan-2-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
Also Known As: 3-(2-hydroxypropan-2-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione, 2-(4-prop-2-enyl-5-sulfanyl-1,2,4-triazol-3-yl)propan-2-ol, 2-[4-(prop-2-en-1-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]propan-2-ol, 5-(2-hydroxypropan-2-yl)-4-prop-2-enyl-2H-1,2,4-triazole-3-thione
| Molecular Formula | C8H13N3OS |
|---|---|
| Molecular Weight | 199.08 g/mol |
| LogP | 1.35409 |
| Topological Polar Surface Area | 53.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 199.07793 |
| Heavy Atoms | 13 |
| Complexity | 358.20142 |
Chemical Identifiers
| CAS Number | 590352-14-0 |
|---|---|
| SMILES | CC(C)(C1=NNC(=S)N1CC=C)O |
Product Overview
3-(2-hydroxypropan-2-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione (CAS 590352-14-0), with molecular formula C8H13N3OS and molecular weight 199.08 g/mol. IUPAC: 3-(2-hydroxypropan-2-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 3-(2-hydroxypropan-2-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
Property Insights of 3-(2-hydroxypropan-2-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
The XLogP value of 1.35409 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-hydroxypropan-2-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione. With a topological polar surface area (TPSA) of 53.84 Ų, 3-(2-hydroxypropan-2-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-hydroxypropan-2-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione has 2 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-(2-hydroxypropan-2-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione?
The CAS number of 3-(2-hydroxypropan-2-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione is 590352-14-0.
What is the molecular formula of 3-(2-hydroxypropan-2-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione?
The molecular formula of 3-(2-hydroxypropan-2-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione is C8H13N3OS.
What is the molecular weight of 3-(2-hydroxypropan-2-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione?
The molecular weight of 3-(2-hydroxypropan-2-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione is 199.08 g/mol.
Where can I buy 3-(2-hydroxypropan-2-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione?
You can request a quote for 3-(2-hydroxypropan-2-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-hydroxypropan-2-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-hydroxypropan-2-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.