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3-Amino-4-[(2,6-dichlorophenyl)sulfanyl]-benzenecarbonitrile
TL;DR: 3-Amino-4-[(2,6-dichlorophenyl)sulfanyl]-benzenecarbonitrile (CAS 338982-10-8) is a chemical compound with molecular formula C13H8Cl2N2S and molecular weight 293.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-4-(2,6-dichlorophenyl)sulfanylbenzonitrile
Also Known As: 3-Amino-4-((2,6-dichlorophenyl)thio)benzonitrile, 3-amino-4-[(2,6-dichlorophenyl)sulfanyl]benzonitrile, 3-Amino-4-[(2,6-dichlorophenyl)sulfanyl]-benzenecarbonitrile, 3-Amino-4-[(2,6-dichlorophenyl)thio]benzonitrile, 3-amino-4-(2,6-dichlorophenyl)sulfanylbenzonitrile
| Molecular Formula | C13H8Cl2N2S |
|---|---|
| Molecular Weight | 293.98 g/mol |
| LogP | 4.59848 |
| Topological Polar Surface Area | 49.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 293.97852 |
| Heavy Atoms | 18 |
| Complexity | 615.1238 |
Chemical Identifiers
| CAS Number | 338982-10-8 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)SC2=C(C=C(C=C2)C#N)N)Cl |
Product Overview
3-Amino-4-[(2,6-dichlorophenyl)sulfanyl]-benzenecarbonitrile (CAS 338982-10-8), with molecular formula C13H8Cl2N2S and molecular weight 293.98 g/mol. IUPAC: 3-amino-4-(2,6-dichlorophenyl)sulfanylbenzonitrile.
Chemical Property Profile of 3-Amino-4-[(2,6-dichlorophenyl)sulfanyl]-benzenecarbonitrile
Property Insights of 3-Amino-4-[(2,6-dichlorophenyl)sulfanyl]-benzenecarbonitrile
The XLogP value of 4.59848 indicates that 3-Amino-4-[(2,6-dichlorophenyl)sulfanyl]-benzenecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.81 Ų, 3-Amino-4-[(2,6-dichlorophenyl)sulfanyl]-benzenecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Amino-4-[(2,6-dichlorophenyl)sulfanyl]-benzenecarbonitrile has 1 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 3-Amino-4-[(2,6-dichlorophenyl)sulfanyl]-benzenecarbonitrile?
The CAS number of 3-Amino-4-[(2,6-dichlorophenyl)sulfanyl]-benzenecarbonitrile is 338982-10-8.
What is the molecular formula of 3-Amino-4-[(2,6-dichlorophenyl)sulfanyl]-benzenecarbonitrile?
The molecular formula of 3-Amino-4-[(2,6-dichlorophenyl)sulfanyl]-benzenecarbonitrile is C13H8Cl2N2S.
What is the molecular weight of 3-Amino-4-[(2,6-dichlorophenyl)sulfanyl]-benzenecarbonitrile?
The molecular weight of 3-Amino-4-[(2,6-dichlorophenyl)sulfanyl]-benzenecarbonitrile is 293.98 g/mol.
Where can I buy 3-Amino-4-[(2,6-dichlorophenyl)sulfanyl]-benzenecarbonitrile?
You can request a quote for 3-Amino-4-[(2,6-dichlorophenyl)sulfanyl]-benzenecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-4-[(2,6-dichlorophenyl)sulfanyl]-benzenecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-4-[(2,6-dichlorophenyl)sulfanyl]-benzenecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.