5-(5-METHYL-4-NITROTHIOPHEN-2-YL)-1,3,4-OXATHIAZOL-2-ONE
TL;DR: 5-(5-METHYL-4-NITROTHIOPHEN-2-YL)-1,3,4-OXATHIAZOL-2-ONE (CAS 36050-35-8) is a chemical compound with molecular formula C7H4N2O4S2 and molecular weight 243.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(5-methyl-4-nitrothiophen-2-yl)-1,3,4-oxathiazol-2-one
Also Known As: 5-(5-METHYL-4-NITROTHIOPHEN-2-YL)-1,3,4-OXATHIAZOL-2-ONE, 5-(5-Methyl-4-nitro-2-thienyl)-1,3,4-oxathiazol-2-one, HT1171, >=98% (HPLC), J2.755.288I, 5-(2-Methyl-3-nitrothiophen-2-yl)-1,3,4-oxathiazol-2-one
| Molecular Formula | C7H4N2O4S2 |
|---|---|
| Molecular Weight | 243.96 g/mol |
| LogP | 2.04142 |
| Topological Polar Surface Area | 86.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 243.96124 |
| Heavy Atoms | 15 |
| Complexity | 567.55237 |
Chemical Identifiers
| CAS Number | 36050-35-8 |
|---|---|
| SMILES | CC1=C(C=C(S1)C2=NSC(=O)O2)[N+](=O)[O-] |
Product Overview
5-(5-METHYL-4-NITROTHIOPHEN-2-YL)-1,3,4-OXATHIAZOL-2-ONE (CAS 36050-35-8), with molecular formula C7H4N2O4S2 and molecular weight 243.96 g/mol. IUPAC: 5-(5-methyl-4-nitrothiophen-2-yl)-1,3,4-oxathiazol-2-one.
Chemical Property Profile of 5-(5-METHYL-4-NITROTHIOPHEN-2-YL)-1,3,4-OXATHIAZOL-2-ONE
Property Insights of 5-(5-METHYL-4-NITROTHIOPHEN-2-YL)-1,3,4-OXATHIAZOL-2-ONE
The XLogP value of 2.04142 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(5-METHYL-4-NITROTHIOPHEN-2-YL)-1,3,4-OXATHIAZOL-2-ONE. The TPSA of 86.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(5-METHYL-4-NITROTHIOPHEN-2-YL)-1,3,4-OXATHIAZOL-2-ONE. Following Lipinski's Rule of Five, 5-(5-METHYL-4-NITROTHIOPHEN-2-YL)-1,3,4-OXATHIAZOL-2-ONE 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 5-(5-METHYL-4-NITROTHIOPHEN-2-YL)-1,3,4-OXATHIAZOL-2-ONE?
The CAS number of 5-(5-METHYL-4-NITROTHIOPHEN-2-YL)-1,3,4-OXATHIAZOL-2-ONE is 36050-35-8.
What is the molecular formula of 5-(5-METHYL-4-NITROTHIOPHEN-2-YL)-1,3,4-OXATHIAZOL-2-ONE?
The molecular formula of 5-(5-METHYL-4-NITROTHIOPHEN-2-YL)-1,3,4-OXATHIAZOL-2-ONE is C7H4N2O4S2.
What is the molecular weight of 5-(5-METHYL-4-NITROTHIOPHEN-2-YL)-1,3,4-OXATHIAZOL-2-ONE?
The molecular weight of 5-(5-METHYL-4-NITROTHIOPHEN-2-YL)-1,3,4-OXATHIAZOL-2-ONE is 243.96 g/mol.
Where can I buy 5-(5-METHYL-4-NITROTHIOPHEN-2-YL)-1,3,4-OXATHIAZOL-2-ONE?
You can request a quote for 5-(5-METHYL-4-NITROTHIOPHEN-2-YL)-1,3,4-OXATHIAZOL-2-ONE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(5-METHYL-4-NITROTHIOPHEN-2-YL)-1,3,4-OXATHIAZOL-2-ONE?
Yes, KEHONG BIO provides custom synthesis services for 5-(5-METHYL-4-NITROTHIOPHEN-2-YL)-1,3,4-OXATHIAZOL-2-ONE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.