1-methyl-1H-tetraazol-5-yl 2-oxo-2-(1-pyrrolidinyl)ethyl sulfide
TL;DR: 1-methyl-1H-tetraazol-5-yl 2-oxo-2-(1-pyrrolidinyl)ethyl sulfide (CAS 392713-05-2) is a chemical compound with molecular formula C8H13N5OS and molecular weight 227.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-methyltetrazol-5-yl)sulfanyl-1-pyrrolidin-1-ylethanone
Also Known As: 1-methyl-1H-tetraazol-5-yl 2-oxo-2-(1-pyrrolidinyl)ethyl sulfide, AP-853/43261217, 2-(1-methyltetrazol-5-yl)sulfanyl-1-pyrrolidin-1-ylethanone, 2-(1-methyl(1,2,3,4-tetraazol-5-ylthio))-1-pyrrolidinylethan-1-one, 2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]-1-(pyrrolidin-1-yl)ethanone
| Molecular Formula | C8H13N5OS |
|---|---|
| Molecular Weight | 227.08 g/mol |
| LogP | -0.0754 |
| Topological Polar Surface Area | 63.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 227.08408 |
| Heavy Atoms | 15 |
| Complexity | 346.55615 |
Chemical Identifiers
| CAS Number | 392713-05-2 |
|---|---|
| SMILES | CN1C(=NN=N1)SCC(=O)N2CCCC2 |
Product Overview
1-methyl-1H-tetraazol-5-yl 2-oxo-2-(1-pyrrolidinyl)ethyl sulfide (CAS 392713-05-2), with molecular formula C8H13N5OS and molecular weight 227.08 g/mol. IUPAC: 2-(1-methyltetrazol-5-yl)sulfanyl-1-pyrrolidin-1-ylethanone.
Chemical Property Profile of 1-methyl-1H-tetraazol-5-yl 2-oxo-2-(1-pyrrolidinyl)ethyl sulfide
Property Insights of 1-methyl-1H-tetraazol-5-yl 2-oxo-2-(1-pyrrolidinyl)ethyl sulfide
The XLogP value of -0.0754 indicates that 1-methyl-1H-tetraazol-5-yl 2-oxo-2-(1-pyrrolidinyl)ethyl sulfide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 63.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-methyl-1H-tetraazol-5-yl 2-oxo-2-(1-pyrrolidinyl)ethyl sulfide. Following Lipinski's Rule of Five, 1-methyl-1H-tetraazol-5-yl 2-oxo-2-(1-pyrrolidinyl)ethyl sulfide has 0 hydrogen bond donor(s) and 5 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 1-methyl-1H-tetraazol-5-yl 2-oxo-2-(1-pyrrolidinyl)ethyl sulfide?
The CAS number of 1-methyl-1H-tetraazol-5-yl 2-oxo-2-(1-pyrrolidinyl)ethyl sulfide is 392713-05-2.
What is the molecular formula of 1-methyl-1H-tetraazol-5-yl 2-oxo-2-(1-pyrrolidinyl)ethyl sulfide?
The molecular formula of 1-methyl-1H-tetraazol-5-yl 2-oxo-2-(1-pyrrolidinyl)ethyl sulfide is C8H13N5OS.
What is the molecular weight of 1-methyl-1H-tetraazol-5-yl 2-oxo-2-(1-pyrrolidinyl)ethyl sulfide?
The molecular weight of 1-methyl-1H-tetraazol-5-yl 2-oxo-2-(1-pyrrolidinyl)ethyl sulfide is 227.08 g/mol.
Where can I buy 1-methyl-1H-tetraazol-5-yl 2-oxo-2-(1-pyrrolidinyl)ethyl sulfide?
You can request a quote for 1-methyl-1H-tetraazol-5-yl 2-oxo-2-(1-pyrrolidinyl)ethyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-methyl-1H-tetraazol-5-yl 2-oxo-2-(1-pyrrolidinyl)ethyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 1-methyl-1H-tetraazol-5-yl 2-oxo-2-(1-pyrrolidinyl)ethyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.