1-Nitro-4-(prop-2-en-1-ylsulfanyl)benzene
TL;DR: 1-Nitro-4-(prop-2-en-1-ylsulfanyl)benzene (CAS 330649-44-0) is a chemical compound with molecular formula C9H9NO2S and molecular weight 195.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitro-4-prop-2-enylsulfanylbenzene
Also Known As: 4-Nitrophenylallyl sulfide, 1-nitro-4-(prop-2-en-1-ylsulfanyl)benzene, allyl 4-nitrophenyl sulfide, p-nitrophenyl allyl thioether, (4-Nitrophenyl)allyl sulfide
| Molecular Formula | C9H9NO2S |
|---|---|
| Molecular Weight | 195.04 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 195.0354 |
| Heavy Atoms | 13 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 330649-44-0 |
|---|---|
| SMILES | C=CCSC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | FLJSVIDOYCOBBR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Nitro-4-(prop-2-en-1-ylsulfanyl)benzene (CAS 330649-44-0), with molecular formula C9H9NO2S and molecular weight 195.04 g/mol. IUPAC: 1-nitro-4-prop-2-enylsulfanylbenzene.
Chemical Property Profile of 1-Nitro-4-(prop-2-en-1-ylsulfanyl)benzene
Property Insights of 1-Nitro-4-(prop-2-en-1-ylsulfanyl)benzene
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Nitro-4-(prop-2-en-1-ylsulfanyl)benzene. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Nitro-4-(prop-2-en-1-ylsulfanyl)benzene. Following Lipinski's Rule of Five, 1-Nitro-4-(prop-2-en-1-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-Nitro-4-(prop-2-en-1-ylsulfanyl)benzene?
The CAS number of 1-Nitro-4-(prop-2-en-1-ylsulfanyl)benzene is 330649-44-0.
What is the molecular formula of 1-Nitro-4-(prop-2-en-1-ylsulfanyl)benzene?
The molecular formula of 1-Nitro-4-(prop-2-en-1-ylsulfanyl)benzene is C9H9NO2S.
What is the molecular weight of 1-Nitro-4-(prop-2-en-1-ylsulfanyl)benzene?
The molecular weight of 1-Nitro-4-(prop-2-en-1-ylsulfanyl)benzene is 195.04 g/mol.
Where can I buy 1-Nitro-4-(prop-2-en-1-ylsulfanyl)benzene?
You can request a quote for 1-Nitro-4-(prop-2-en-1-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-Nitro-4-(prop-2-en-1-ylsulfanyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Nitro-4-(prop-2-en-1-ylsulfanyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.