Nxxpdbsjkpnlit-uhfffaoysa-
TL;DR: Nxxpdbsjkpnlit-uhfffaoysa- (CAS 35726-01-3) is a chemical compound with molecular formula C5H7NO4S and molecular weight 177.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-4-nitro-2,5-dihydrothiophene 1,1-dioxide
Also Known As: NXXPDBSJKPNLIT-UHFFFAOYSA-, 3-methyl-4-nitro-3-thiolene 1,1-dioxide, 3-methyl-4-nitro-3-thiolene-1,1-dioxide, 3-methyl-4-nitro-2,5-dihydrothiophene 1,1-dioxide, 4-methyl-3-nitro-2,5-dihydrothiophene-1,1-dione
| Molecular Formula | C5H7NO4S |
|---|---|
| Molecular Weight | 177.01 g/mol |
| LogP | -0.0345 |
| Topological Polar Surface Area | 77.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 177.00958 |
| Heavy Atoms | 11 |
| Complexity | 326.39157 |
Chemical Identifiers
| CAS Number | 35726-01-3 |
|---|---|
| SMILES | CC1=C(CS(=O)(=O)C1)[N+](=O)[O-] |
Product Overview
Nxxpdbsjkpnlit-uhfffaoysa- (CAS 35726-01-3), with molecular formula C5H7NO4S and molecular weight 177.01 g/mol. IUPAC: 3-methyl-4-nitro-2,5-dihydrothiophene 1,1-dioxide.
Chemical Property Profile of Nxxpdbsjkpnlit-uhfffaoysa-
Property Insights of Nxxpdbsjkpnlit-uhfffaoysa-
The XLogP value of -0.0345 indicates that Nxxpdbsjkpnlit-uhfffaoysa- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 77.28 Ų falls within the moderate polarity range, balancing permeability and solubility for Nxxpdbsjkpnlit-uhfffaoysa-. Following Lipinski's Rule of Five, Nxxpdbsjkpnlit-uhfffaoysa- has 0 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 Nxxpdbsjkpnlit-uhfffaoysa-?
The CAS number of Nxxpdbsjkpnlit-uhfffaoysa- is 35726-01-3.
What is the molecular formula of Nxxpdbsjkpnlit-uhfffaoysa-?
The molecular formula of Nxxpdbsjkpnlit-uhfffaoysa- is C5H7NO4S.
What is the molecular weight of Nxxpdbsjkpnlit-uhfffaoysa-?
The molecular weight of Nxxpdbsjkpnlit-uhfffaoysa- is 177.01 g/mol.
Where can I buy Nxxpdbsjkpnlit-uhfffaoysa-?
You can request a quote for Nxxpdbsjkpnlit-uhfffaoysa- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nxxpdbsjkpnlit-uhfffaoysa-?
Yes, KEHONG BIO provides custom synthesis services for Nxxpdbsjkpnlit-uhfffaoysa- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.