3-Chloro-4-(isopropylsulfonyl)-2-nitrothiophene
TL;DR: 3-Chloro-4-(isopropylsulfonyl)-2-nitrothiophene (CAS 650615-63-7) is a chemical compound with molecular formula C7H8ClNO4S2 and molecular weight 268.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-2-nitro-4-propan-2-ylsulfonylthiophene
Also Known As: 3-chloro-4-(isopropylsulfonyl)-2-nitrothiophene, 3-chloro-2-nitro-4-propan-2-ylsulfonylthiophene, 3-chloro-2-nitro-4-(propane-2-sulfonyl)thiophene, 3-chloro-2-nitro-4-propan-2-ylsulfonyl-thiophene, 3-chloro-4-(isopropylsulphonyl)-2-nitrothiophene
| Molecular Formula | C7H8ClNO4S2 |
|---|---|
| Molecular Weight | 268.96 g/mol |
| LogP | 2.4918 |
| Topological Polar Surface Area | 77.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.9583 |
| Heavy Atoms | 15 |
| Complexity | 491.0885 |
Chemical Identifiers
| CAS Number | 650615-63-7 |
|---|---|
| SMILES | CC(C)S(=O)(=O)C1=CSC(=C1Cl)[N+](=O)[O-] |
Product Overview
3-Chloro-4-(isopropylsulfonyl)-2-nitrothiophene (CAS 650615-63-7), with molecular formula C7H8ClNO4S2 and molecular weight 268.96 g/mol. IUPAC: 3-chloro-2-nitro-4-propan-2-ylsulfonylthiophene.
Chemical Property Profile of 3-Chloro-4-(isopropylsulfonyl)-2-nitrothiophene
Property Insights of 3-Chloro-4-(isopropylsulfonyl)-2-nitrothiophene
The XLogP value of 2.4918 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-4-(isopropylsulfonyl)-2-nitrothiophene. The TPSA of 77.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Chloro-4-(isopropylsulfonyl)-2-nitrothiophene. Following Lipinski's Rule of Five, 3-Chloro-4-(isopropylsulfonyl)-2-nitrothiophene 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 3-Chloro-4-(isopropylsulfonyl)-2-nitrothiophene?
The CAS number of 3-Chloro-4-(isopropylsulfonyl)-2-nitrothiophene is 650615-63-7.
What is the molecular formula of 3-Chloro-4-(isopropylsulfonyl)-2-nitrothiophene?
The molecular formula of 3-Chloro-4-(isopropylsulfonyl)-2-nitrothiophene is C7H8ClNO4S2.
What is the molecular weight of 3-Chloro-4-(isopropylsulfonyl)-2-nitrothiophene?
The molecular weight of 3-Chloro-4-(isopropylsulfonyl)-2-nitrothiophene is 268.96 g/mol.
Where can I buy 3-Chloro-4-(isopropylsulfonyl)-2-nitrothiophene?
You can request a quote for 3-Chloro-4-(isopropylsulfonyl)-2-nitrothiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-4-(isopropylsulfonyl)-2-nitrothiophene?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-4-(isopropylsulfonyl)-2-nitrothiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.