3-(3-hydroxy-4-propoxybutyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
TL;DR: 3-(3-hydroxy-4-propoxybutyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione (CAS 328009-06-9) is a chemical compound with molecular formula C12H21N3O2S and molecular weight 271.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-hydroxy-4-propoxybutyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
Also Known As: BAS 00333723, 3-(3-hydroxy-4-propoxybutyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione, 5-(3-hydroxy-4-propoxybutyl)-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, 4-(4-Allyl-5-mercapto-4H-[1,2,4]triazol-3-yl)-1-propoxy-butan-2-ol, 4-(4-allyl-5-mercapto-4H-1,2,4-triazol-3-yl)-1-propoxybutan-2-ol
| Molecular Formula | C12H21N3O2S |
|---|---|
| Molecular Weight | 271.14 g/mol |
| LogP | 1.84679 |
| Topological Polar Surface Area | 63.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 271.13544 |
| Heavy Atoms | 18 |
| Complexity | 413.70016 |
Chemical Identifiers
| CAS Number | 328009-06-9 |
|---|---|
| SMILES | CCCOCC(CCC1=NNC(=S)N1CC=C)O |
Product Overview
3-(3-hydroxy-4-propoxybutyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione (CAS 328009-06-9), with molecular formula C12H21N3O2S and molecular weight 271.14 g/mol. IUPAC: 3-(3-hydroxy-4-propoxybutyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 3-(3-hydroxy-4-propoxybutyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
Property Insights of 3-(3-hydroxy-4-propoxybutyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
The XLogP value of 1.84679 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-hydroxy-4-propoxybutyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione. The TPSA of 63.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-hydroxy-4-propoxybutyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione. Following Lipinski's Rule of Five, 3-(3-hydroxy-4-propoxybutyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione has 2 hydrogen bond donor(s) and 4 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-hydroxy-4-propoxybutyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione?
The CAS number of 3-(3-hydroxy-4-propoxybutyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione is 328009-06-9.
What is the molecular formula of 3-(3-hydroxy-4-propoxybutyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione?
The molecular formula of 3-(3-hydroxy-4-propoxybutyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione is C12H21N3O2S.
What is the molecular weight of 3-(3-hydroxy-4-propoxybutyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione?
The molecular weight of 3-(3-hydroxy-4-propoxybutyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione is 271.14 g/mol.
Where can I buy 3-(3-hydroxy-4-propoxybutyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione?
You can request a quote for 3-(3-hydroxy-4-propoxybutyl)-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-(3-hydroxy-4-propoxybutyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-hydroxy-4-propoxybutyl)-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.