1H-1,2,4-Triazol-3-ol, 5-(2-butenylthio)-1-methyl-, methanesulfonate (ester)
TL;DR: 1H-1,2,4-Triazol-3-ol, 5-(2-butenylthio)-1-methyl-, methanesulfonate (ester) (CAS 55375-40-1) is a chemical compound with molecular formula C8H13N3O3S2 and molecular weight 263.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-[(E)-but-2-enyl]sulfanyl-1-methyl-1,2,4-triazol-3-yl] methanesulfonate
Also Known As: 1-Methyl-5-buten(2)ylthiotriazol(3)yl-methansulfonat, 5-(2-Butenylthio)-1-methyl-1H-1,2,4-triazol-3-ol methanesulfonate (ester), 1-Methyl-5-buten(2)ylthiotriazol(3)yl-methansulfonat [German], 1H-1,2,4-Triazol-3-ol, 5-(2-butenylthio)-1-methyl-, methanesulfonate (ester), [5-[(E)-but-2-enyl]sulfanyl-1-methyl-1,2,4-triazol-3-yl] methanesulfonate
| Molecular Formula | C8H13N3O3S2 |
|---|---|
| Molecular Weight | 263.04 g/mol |
| LogP | 0.8217 |
| Topological Polar Surface Area | 74.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 263.03983 |
| Heavy Atoms | 16 |
| Complexity | 478.71802 |
Chemical Identifiers
| CAS Number | 55375-40-1 |
|---|---|
| SMILES | C/C=C/CSC1=NC(=NN1C)OS(=O)(=O)C |
Product Overview
1H-1,2,4-Triazol-3-ol, 5-(2-butenylthio)-1-methyl-, methanesulfonate (ester) (CAS 55375-40-1), with molecular formula C8H13N3O3S2 and molecular weight 263.04 g/mol. IUPAC: [5-[(E)-but-2-enyl]sulfanyl-1-methyl-1,2,4-triazol-3-yl] methanesulfonate.
Chemical Property Profile of 1H-1,2,4-Triazol-3-ol, 5-(2-butenylthio)-1-methyl-, methanesulfonate (ester)
Property Insights of 1H-1,2,4-Triazol-3-ol, 5-(2-butenylthio)-1-methyl-, methanesulfonate (ester)
The XLogP value of 0.8217 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-1,2,4-Triazol-3-ol, 5-(2-butenylthio)-1-methyl-, methanesulfonate (ester). The TPSA of 74.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-1,2,4-Triazol-3-ol, 5-(2-butenylthio)-1-methyl-, methanesulfonate (ester). Following Lipinski's Rule of Five, 1H-1,2,4-Triazol-3-ol, 5-(2-butenylthio)-1-methyl-, methanesulfonate (ester) has 0 hydrogen bond donor(s) and 6 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 1H-1,2,4-Triazol-3-ol, 5-(2-butenylthio)-1-methyl-, methanesulfonate (ester)?
The CAS number of 1H-1,2,4-Triazol-3-ol, 5-(2-butenylthio)-1-methyl-, methanesulfonate (ester) is 55375-40-1.
What is the molecular formula of 1H-1,2,4-Triazol-3-ol, 5-(2-butenylthio)-1-methyl-, methanesulfonate (ester)?
The molecular formula of 1H-1,2,4-Triazol-3-ol, 5-(2-butenylthio)-1-methyl-, methanesulfonate (ester) is C8H13N3O3S2.
What is the molecular weight of 1H-1,2,4-Triazol-3-ol, 5-(2-butenylthio)-1-methyl-, methanesulfonate (ester)?
The molecular weight of 1H-1,2,4-Triazol-3-ol, 5-(2-butenylthio)-1-methyl-, methanesulfonate (ester) is 263.04 g/mol.
Where can I buy 1H-1,2,4-Triazol-3-ol, 5-(2-butenylthio)-1-methyl-, methanesulfonate (ester)?
You can request a quote for 1H-1,2,4-Triazol-3-ol, 5-(2-butenylthio)-1-methyl-, methanesulfonate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-1,2,4-Triazol-3-ol, 5-(2-butenylthio)-1-methyl-, methanesulfonate (ester)?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,2,4-Triazol-3-ol, 5-(2-butenylthio)-1-methyl-, methanesulfonate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.