2-(1-Methyltetrazol-5-yl)sulfanyl-1-(4-nitrophenyl)ethanone
TL;DR: 2-(1-Methyltetrazol-5-yl)sulfanyl-1-(4-nitrophenyl)ethanone (CAS 879602-26-3) is a chemical compound with molecular formula C10H9N5O3S and molecular weight 279.04 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-(4-nitrophenyl)ethanone
Also Known As: 2-(1-methyltetrazol-5-yl)sulfanyl-1-(4-nitrophenyl)ethanone, 2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]-1-(4-nitrophenyl)ethanone, 2-[(1-METHYL-1,2,3,4-TETRAZOL-5-YL)SULFANYL]-1-(4-NITROPHENYL)ETHANONE
| Molecular Formula | C10H9N5O3S |
|---|---|
| Molecular Weight | 279.04 g/mol |
| LogP | 1.0933 |
| Topological Polar Surface Area | 103.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 279.0426 |
| Heavy Atoms | 19 |
| Complexity | 609.8826 |
Chemical Identifiers
| CAS Number | 879602-26-3 |
|---|---|
| SMILES | CN1C(=NN=N1)SCC(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
2-(1-Methyltetrazol-5-yl)sulfanyl-1-(4-nitrophenyl)ethanone (CAS 879602-26-3), with molecular formula C10H9N5O3S and molecular weight 279.04 g/mol. IUPAC: 2-(1-methyltetrazol-5-yl)sulfanyl-1-(4-nitrophenyl)ethanone.
Chemical Property Profile of 2-(1-Methyltetrazol-5-yl)sulfanyl-1-(4-nitrophenyl)ethanone
Property Insights of 2-(1-Methyltetrazol-5-yl)sulfanyl-1-(4-nitrophenyl)ethanone
The XLogP value of 1.0933 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-Methyltetrazol-5-yl)sulfanyl-1-(4-nitrophenyl)ethanone. The TPSA of 103.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1-Methyltetrazol-5-yl)sulfanyl-1-(4-nitrophenyl)ethanone. Following Lipinski's Rule of Five, 2-(1-Methyltetrazol-5-yl)sulfanyl-1-(4-nitrophenyl)ethanone has 0 hydrogen bond donor(s) and 7 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 2-(1-Methyltetrazol-5-yl)sulfanyl-1-(4-nitrophenyl)ethanone?
The CAS number of 2-(1-Methyltetrazol-5-yl)sulfanyl-1-(4-nitrophenyl)ethanone is 879602-26-3.
What is the molecular formula of 2-(1-Methyltetrazol-5-yl)sulfanyl-1-(4-nitrophenyl)ethanone?
The molecular formula of 2-(1-Methyltetrazol-5-yl)sulfanyl-1-(4-nitrophenyl)ethanone is C10H9N5O3S.
What is the molecular weight of 2-(1-Methyltetrazol-5-yl)sulfanyl-1-(4-nitrophenyl)ethanone?
The molecular weight of 2-(1-Methyltetrazol-5-yl)sulfanyl-1-(4-nitrophenyl)ethanone is 279.04 g/mol.
Where can I buy 2-(1-Methyltetrazol-5-yl)sulfanyl-1-(4-nitrophenyl)ethanone?
You can request a quote for 2-(1-Methyltetrazol-5-yl)sulfanyl-1-(4-nitrophenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-Methyltetrazol-5-yl)sulfanyl-1-(4-nitrophenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-Methyltetrazol-5-yl)sulfanyl-1-(4-nitrophenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.