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[(4-Aminophenyl)sulfanyl]formonitrile
TL;DR: [(4-Aminophenyl)sulfanyl]formonitrile (CAS 2987-46-4) is a chemical compound with molecular formula C7H6N2S and molecular weight 150.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-aminophenyl) thiocyanate
Also Known As: Rhodan, 4-Thiocyanatoaniline, Rodan, 4-aminophenyl thiocyanate, p-Rhodananiline
| Molecular Formula | C7H6N2S |
|---|---|
| Molecular Weight | 150.03 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 75.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 150.02516 |
| Heavy Atoms | 10 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 2987-46-4 |
|---|---|
| SMILES | C1=CC(=CC=C1N)SC#N |
| InChIKey | NJYFRQQXXXRJHK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
[(4-Aminophenyl)sulfanyl]formonitrile (CAS 2987-46-4), with molecular formula C7H6N2S and molecular weight 150.03 g/mol. IUPAC: (4-aminophenyl) thiocyanate.
Chemical Property Profile of [(4-Aminophenyl)sulfanyl]formonitrile
Property Insights of [(4-Aminophenyl)sulfanyl]formonitrile
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(4-Aminophenyl)sulfanyl]formonitrile. The TPSA of 75.1 Ų falls within the moderate polarity range, balancing permeability and solubility for [(4-Aminophenyl)sulfanyl]formonitrile. Following Lipinski's Rule of Five, [(4-Aminophenyl)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-Aminophenyl)sulfanyl]formonitrile?
The CAS number of [(4-Aminophenyl)sulfanyl]formonitrile is 2987-46-4.
What is the molecular formula of [(4-Aminophenyl)sulfanyl]formonitrile?
The molecular formula of [(4-Aminophenyl)sulfanyl]formonitrile is C7H6N2S.
What is the molecular weight of [(4-Aminophenyl)sulfanyl]formonitrile?
The molecular weight of [(4-Aminophenyl)sulfanyl]formonitrile is 150.03 g/mol.
Where can I buy [(4-Aminophenyl)sulfanyl]formonitrile?
You can request a quote for [(4-Aminophenyl)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-Aminophenyl)sulfanyl]formonitrile?
Yes, KEHONG BIO provides custom synthesis services for [(4-Aminophenyl)sulfanyl]formonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.