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2-[(4-Methoxyphenyl)sulfanyl]-5-nitrobenzenecarbonitrile
TL;DR: 2-[(4-Methoxyphenyl)sulfanyl]-5-nitrobenzenecarbonitrile (CAS 306980-91-6) is a chemical compound with molecular formula C14H10N2O3S and molecular weight 286.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methoxyphenyl)sulfanyl-5-nitrobenzonitrile
Also Known As: 2-[(4-methoxyphenyl)sulfanyl]-5-nitrobenzonitrile, 2-[(4-methoxyphenyl)sulfanyl]-5-nitrobenzenecarbonitrile, 2-((4-Methoxyphenyl)thio)-5-nitrobenzonitrile, 2-(4-methoxyphenyl)sulfanyl-5-nitrobenzonitrile, 12K-587S
| Molecular Formula | C14H10N2O3S |
|---|---|
| Molecular Weight | 286.04 g/mol |
| LogP | 3.62628 |
| Topological Polar Surface Area | 76.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 286.0412 |
| Heavy Atoms | 20 |
| Complexity | 677.80865 |
Chemical Identifiers
| CAS Number | 306980-91-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])C#N |
Product Overview
2-[(4-Methoxyphenyl)sulfanyl]-5-nitrobenzenecarbonitrile (CAS 306980-91-6), with molecular formula C14H10N2O3S and molecular weight 286.04 g/mol. IUPAC: 2-(4-methoxyphenyl)sulfanyl-5-nitrobenzonitrile.
Chemical Property Profile of 2-[(4-Methoxyphenyl)sulfanyl]-5-nitrobenzenecarbonitrile
Property Insights of 2-[(4-Methoxyphenyl)sulfanyl]-5-nitrobenzenecarbonitrile
The XLogP value of 3.62628 indicates that 2-[(4-Methoxyphenyl)sulfanyl]-5-nitrobenzenecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-Methoxyphenyl)sulfanyl]-5-nitrobenzenecarbonitrile. Following Lipinski's Rule of Five, 2-[(4-Methoxyphenyl)sulfanyl]-5-nitrobenzenecarbonitrile 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 2-[(4-Methoxyphenyl)sulfanyl]-5-nitrobenzenecarbonitrile?
The CAS number of 2-[(4-Methoxyphenyl)sulfanyl]-5-nitrobenzenecarbonitrile is 306980-91-6.
What is the molecular formula of 2-[(4-Methoxyphenyl)sulfanyl]-5-nitrobenzenecarbonitrile?
The molecular formula of 2-[(4-Methoxyphenyl)sulfanyl]-5-nitrobenzenecarbonitrile is C14H10N2O3S.
What is the molecular weight of 2-[(4-Methoxyphenyl)sulfanyl]-5-nitrobenzenecarbonitrile?
The molecular weight of 2-[(4-Methoxyphenyl)sulfanyl]-5-nitrobenzenecarbonitrile is 286.04 g/mol.
Where can I buy 2-[(4-Methoxyphenyl)sulfanyl]-5-nitrobenzenecarbonitrile?
You can request a quote for 2-[(4-Methoxyphenyl)sulfanyl]-5-nitrobenzenecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-Methoxyphenyl)sulfanyl]-5-nitrobenzenecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Methoxyphenyl)sulfanyl]-5-nitrobenzenecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.