((4-Hydroxy-3-methylphenyl)sulfanyl)formonitrile
TL;DR: ((4-Hydroxy-3-methylphenyl)sulfanyl)formonitrile (CAS 4416-79-9) is a chemical compound with molecular formula C8H7NOS and molecular weight 165.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-hydroxy-3-methylphenyl) thiocyanate
Also Known As: 2-methyl-4-thiocyanatophenol, 4-hydroxy-3-methylphenyl thiocyanate, 4-Thiocyanato-O-cresol, ZIRCONIUMSILICIDE, (4-hydroxy-3-methylphenyl) thiocyanate
| Molecular Formula | C8H7NOS |
|---|---|
| Molecular Weight | 165.02 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 69.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 165.02484 |
| Heavy Atoms | 11 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 4416-79-9 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)SC#N)O |
| InChIKey | WEAMLHXSIBDPGN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
((4-Hydroxy-3-methylphenyl)sulfanyl)formonitrile (CAS 4416-79-9), with molecular formula C8H7NOS and molecular weight 165.02 g/mol. IUPAC: (4-hydroxy-3-methylphenyl) thiocyanate.
Chemical Property Profile of ((4-Hydroxy-3-methylphenyl)sulfanyl)formonitrile
Property Insights of ((4-Hydroxy-3-methylphenyl)sulfanyl)formonitrile
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ((4-Hydroxy-3-methylphenyl)sulfanyl)formonitrile. The TPSA of 69.3 Ų falls within the moderate polarity range, balancing permeability and solubility for ((4-Hydroxy-3-methylphenyl)sulfanyl)formonitrile. Following Lipinski's Rule of Five, ((4-Hydroxy-3-methylphenyl)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-Hydroxy-3-methylphenyl)sulfanyl)formonitrile?
The CAS number of ((4-Hydroxy-3-methylphenyl)sulfanyl)formonitrile is 4416-79-9.
What is the molecular formula of ((4-Hydroxy-3-methylphenyl)sulfanyl)formonitrile?
The molecular formula of ((4-Hydroxy-3-methylphenyl)sulfanyl)formonitrile is C8H7NOS.
What is the molecular weight of ((4-Hydroxy-3-methylphenyl)sulfanyl)formonitrile?
The molecular weight of ((4-Hydroxy-3-methylphenyl)sulfanyl)formonitrile is 165.02 g/mol.
Where can I buy ((4-Hydroxy-3-methylphenyl)sulfanyl)formonitrile?
You can request a quote for ((4-Hydroxy-3-methylphenyl)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-Hydroxy-3-methylphenyl)sulfanyl)formonitrile?
Yes, KEHONG BIO provides custom synthesis services for ((4-Hydroxy-3-methylphenyl)sulfanyl)formonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.