1-Chloro-3-nitro-2-(propan-2-ylsulfanyl)benzene
TL;DR: 1-Chloro-3-nitro-2-(propan-2-ylsulfanyl)benzene (CAS 178551-27-4) is a chemical compound with molecular formula C9H10ClNO2S and molecular weight 231.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-3-nitro-2-propan-2-ylsulfanylbenzene
Also Known As: 1-chloro-3-nitro-2-(propan-2-ylsulfanyl)benzene, 1-Chloro-2-isopropylsulfanyl-3-nitro-benzene, (2-Chloro-6-nitrophenyl)(isopropyl)sulfane, 1-chloro-3-nitro-2-propan-2-ylsulfanylbenzene, 2-chloro-6-nitrophenyl-isopropylsulfane
| Molecular Formula | C9H10ClNO2S |
|---|---|
| Molecular Weight | 231.01 g/mol |
| LogP | 3.7487 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 231.01208 |
| Heavy Atoms | 14 |
| Complexity | 354.66522 |
Chemical Identifiers
| CAS Number | 178551-27-4 |
|---|---|
| SMILES | CC(C)SC1=C(C=CC=C1Cl)[N+](=O)[O-] |
Product Overview
1-Chloro-3-nitro-2-(propan-2-ylsulfanyl)benzene (CAS 178551-27-4), with molecular formula C9H10ClNO2S and molecular weight 231.01 g/mol. IUPAC: 1-chloro-3-nitro-2-propan-2-ylsulfanylbenzene.
Chemical Property Profile of 1-Chloro-3-nitro-2-(propan-2-ylsulfanyl)benzene
Property Insights of 1-Chloro-3-nitro-2-(propan-2-ylsulfanyl)benzene
The XLogP value of 3.7487 indicates that 1-Chloro-3-nitro-2-(propan-2-ylsulfanyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.14 Ų, 1-Chloro-3-nitro-2-(propan-2-ylsulfanyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-3-nitro-2-(propan-2-ylsulfanyl)benzene has 0 hydrogen bond donor(s) and 3 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 1-Chloro-3-nitro-2-(propan-2-ylsulfanyl)benzene?
The CAS number of 1-Chloro-3-nitro-2-(propan-2-ylsulfanyl)benzene is 178551-27-4.
What is the molecular formula of 1-Chloro-3-nitro-2-(propan-2-ylsulfanyl)benzene?
The molecular formula of 1-Chloro-3-nitro-2-(propan-2-ylsulfanyl)benzene is C9H10ClNO2S.
What is the molecular weight of 1-Chloro-3-nitro-2-(propan-2-ylsulfanyl)benzene?
The molecular weight of 1-Chloro-3-nitro-2-(propan-2-ylsulfanyl)benzene is 231.01 g/mol.
Where can I buy 1-Chloro-3-nitro-2-(propan-2-ylsulfanyl)benzene?
You can request a quote for 1-Chloro-3-nitro-2-(propan-2-ylsulfanyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-3-nitro-2-(propan-2-ylsulfanyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-3-nitro-2-(propan-2-ylsulfanyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.