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5-Amino-2-[(4-methoxyphenyl)sulfanyl]-benzenecarbonitrile
TL;DR: 5-Amino-2-[(4-methoxyphenyl)sulfanyl]-benzenecarbonitrile (CAS 306980-92-7) is a chemical compound with molecular formula C14H12N2OS and molecular weight 256.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-2-(4-methoxyphenyl)sulfanylbenzonitrile
Also Known As: 5-Amino-2-((4-methoxyphenyl)thio)benzonitrile, 5-Amino-2-[(4-methoxyphenyl)sulfanyl]-benzenecarbonitrile, 5-Amino-2-[(4-methoxyphenyl)thio]benzonitrile, 5-amino-2-(4-methoxyphenyl)sulfanylbenzonitrile, 9728AD
| Molecular Formula | C14H12N2OS |
|---|---|
| Molecular Weight | 256.07 g/mol |
| LogP | 3.30028 |
| Topological Polar Surface Area | 59.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 256.06705 |
| Heavy Atoms | 18 |
| Complexity | 587.7333 |
Chemical Identifiers
| CAS Number | 306980-92-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)SC2=C(C=C(C=C2)N)C#N |
Product Overview
5-Amino-2-[(4-methoxyphenyl)sulfanyl]-benzenecarbonitrile (CAS 306980-92-7), with molecular formula C14H12N2OS and molecular weight 256.07 g/mol. IUPAC: 5-amino-2-(4-methoxyphenyl)sulfanylbenzonitrile.
Chemical Property Profile of 5-Amino-2-[(4-methoxyphenyl)sulfanyl]-benzenecarbonitrile
Property Insights of 5-Amino-2-[(4-methoxyphenyl)sulfanyl]-benzenecarbonitrile
The XLogP value of 3.30028 indicates that 5-Amino-2-[(4-methoxyphenyl)sulfanyl]-benzenecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.04 Ų, 5-Amino-2-[(4-methoxyphenyl)sulfanyl]-benzenecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Amino-2-[(4-methoxyphenyl)sulfanyl]-benzenecarbonitrile has 1 hydrogen bond donor(s) and 4 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-Amino-2-[(4-methoxyphenyl)sulfanyl]-benzenecarbonitrile?
The CAS number of 5-Amino-2-[(4-methoxyphenyl)sulfanyl]-benzenecarbonitrile is 306980-92-7.
What is the molecular formula of 5-Amino-2-[(4-methoxyphenyl)sulfanyl]-benzenecarbonitrile?
The molecular formula of 5-Amino-2-[(4-methoxyphenyl)sulfanyl]-benzenecarbonitrile is C14H12N2OS.
What is the molecular weight of 5-Amino-2-[(4-methoxyphenyl)sulfanyl]-benzenecarbonitrile?
The molecular weight of 5-Amino-2-[(4-methoxyphenyl)sulfanyl]-benzenecarbonitrile is 256.07 g/mol.
Where can I buy 5-Amino-2-[(4-methoxyphenyl)sulfanyl]-benzenecarbonitrile?
You can request a quote for 5-Amino-2-[(4-methoxyphenyl)sulfanyl]-benzenecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Amino-2-[(4-methoxyphenyl)sulfanyl]-benzenecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Amino-2-[(4-methoxyphenyl)sulfanyl]-benzenecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.