((4-Amino-3-chlorophenyl)sulfanyl)formonitrile
TL;DR: ((4-Amino-3-chlorophenyl)sulfanyl)formonitrile (CAS 3226-47-9) is a chemical compound with molecular formula C7H5ClN2S and molecular weight 183.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-amino-3-chlorophenyl) thiocyanate
Also Known As: 2-CHLORO-4-THIOCYANATOANILINE, 4-Amino-3-chlorophenyl thiocyanate, 2-chloro-4-thiocyanato-aniline, (4-amino-3-chlorophenyl) thiocyanate, 2-chloro-4-thiocyanoaniline
| Molecular Formula | C7H5ClN2S |
|---|---|
| Molecular Weight | 183.99 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 75.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 183.98619 |
| Heavy Atoms | 11 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 3226-47-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1SC#N)Cl)N |
| InChIKey | TZBOJMWJGHBCEV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
((4-Amino-3-chlorophenyl)sulfanyl)formonitrile (CAS 3226-47-9), with molecular formula C7H5ClN2S and molecular weight 183.99 g/mol. IUPAC: (4-amino-3-chlorophenyl) thiocyanate.
Chemical Property Profile of ((4-Amino-3-chlorophenyl)sulfanyl)formonitrile
Property Insights of ((4-Amino-3-chlorophenyl)sulfanyl)formonitrile
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ((4-Amino-3-chlorophenyl)sulfanyl)formonitrile. The TPSA of 75.1 Ų falls within the moderate polarity range, balancing permeability and solubility for ((4-Amino-3-chlorophenyl)sulfanyl)formonitrile. Following Lipinski's Rule of Five, ((4-Amino-3-chlorophenyl)sulfanyl)formonitrile 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 ((4-Amino-3-chlorophenyl)sulfanyl)formonitrile?
The CAS number of ((4-Amino-3-chlorophenyl)sulfanyl)formonitrile is 3226-47-9.
What is the molecular formula of ((4-Amino-3-chlorophenyl)sulfanyl)formonitrile?
The molecular formula of ((4-Amino-3-chlorophenyl)sulfanyl)formonitrile is C7H5ClN2S.
What is the molecular weight of ((4-Amino-3-chlorophenyl)sulfanyl)formonitrile?
The molecular weight of ((4-Amino-3-chlorophenyl)sulfanyl)formonitrile is 183.99 g/mol.
Where can I buy ((4-Amino-3-chlorophenyl)sulfanyl)formonitrile?
You can request a quote for ((4-Amino-3-chlorophenyl)sulfanyl)formonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ((4-Amino-3-chlorophenyl)sulfanyl)formonitrile?
Yes, KEHONG BIO provides custom synthesis services for ((4-Amino-3-chlorophenyl)sulfanyl)formonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.