![Isobutyl 5-[(3-nitro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazol-2-yl sulfide structure](/static/products/4778/477856-16-9.webp)
Isobutyl 5-[(3-nitro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazol-2-yl sulfide
TL;DR: Isobutyl 5-[(3-nitro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazol-2-yl sulfide (CAS 477856-16-9) is a chemical compound with molecular formula C11H12N4O2S3 and molecular weight 328.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methylpropylsulfanyl)-5-[(3-nitro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole
Also Known As: 11N-746, isobutyl 5-[(3-nitro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazol-2-yl sulfide, 2-(2-methylpropylsulfanyl)-5-(3-nitropyridin-2-yl)sulfanyl-1,3,4-thiadiazole, 2-({5-[(2-methylpropyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-3-nitropyridine
| Molecular Formula | C11H12N4O2S3 |
|---|---|
| Molecular Weight | 328.01 g/mol |
| LogP | 3.7406 |
| Topological Polar Surface Area | 81.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 328.01224 |
| Heavy Atoms | 20 |
| Complexity | 602.85913 |
Chemical Identifiers
| CAS Number | 477856-16-9 |
|---|---|
| SMILES | CC(C)CSC1=NN=C(S1)SC2=C(C=CC=N2)[N+](=O)[O-] |
Product Overview
Isobutyl 5-[(3-nitro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazol-2-yl sulfide (CAS 477856-16-9), with molecular formula C11H12N4O2S3 and molecular weight 328.01 g/mol. IUPAC: 2-(2-methylpropylsulfanyl)-5-[(3-nitro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole.
Chemical Property Profile of Isobutyl 5-[(3-nitro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazol-2-yl sulfide
Property Insights of Isobutyl 5-[(3-nitro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazol-2-yl sulfide
The XLogP value of 3.7406 indicates that Isobutyl 5-[(3-nitro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazol-2-yl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.81 Ų falls within the moderate polarity range, balancing permeability and solubility for Isobutyl 5-[(3-nitro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazol-2-yl sulfide. Following Lipinski's Rule of Five, Isobutyl 5-[(3-nitro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazol-2-yl sulfide has 0 hydrogen bond donor(s) and 8 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 Isobutyl 5-[(3-nitro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazol-2-yl sulfide?
The CAS number of Isobutyl 5-[(3-nitro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazol-2-yl sulfide is 477856-16-9.
What is the molecular formula of Isobutyl 5-[(3-nitro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazol-2-yl sulfide?
The molecular formula of Isobutyl 5-[(3-nitro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazol-2-yl sulfide is C11H12N4O2S3.
What is the molecular weight of Isobutyl 5-[(3-nitro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazol-2-yl sulfide?
The molecular weight of Isobutyl 5-[(3-nitro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazol-2-yl sulfide is 328.01 g/mol.
Where can I buy Isobutyl 5-[(3-nitro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazol-2-yl sulfide?
You can request a quote for Isobutyl 5-[(3-nitro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazol-2-yl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobutyl 5-[(3-nitro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazol-2-yl sulfide?
Yes, KEHONG BIO provides custom synthesis services for Isobutyl 5-[(3-nitro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazol-2-yl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.