ChemDiv2_002777
TL;DR: ChemDiv2_002777 (CAS 36234-62-5) is a chemical compound with molecular formula C10H7N3S2 and molecular weight 233.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-amino-4-phenyl-1,3-thiazol-5-yl) thiocyanate
Also Known As: ChemDiv2_002777, (2-amino-4-phenyl-1,3-thiazol-5-yl) thiocyanate, 2-amino-4-phenyl-1,3-thiazol-5-yl thiocyanate, Thiocyanic acid, 2-amino-4-phenyl-5-thiazolyl ester, (2-amino-4-phenyl(1,3-thiazol-5-yl))thiocarbonitrile
| Molecular Formula | C10H7N3S2 |
|---|---|
| Molecular Weight | 233.01 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 233.00813 |
| Heavy Atoms | 15 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 36234-62-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(SC(=N2)N)SC#N |
| InChIKey | CJCHWMSOLYDGOM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ChemDiv2_002777 (CAS 36234-62-5), with molecular formula C10H7N3S2 and molecular weight 233.01 g/mol. IUPAC: (2-amino-4-phenyl-1,3-thiazol-5-yl) thiocyanate.
Chemical Property Profile of ChemDiv2_002777
Property Insights of ChemDiv2_002777
The XLogP value of 3.2 indicates that ChemDiv2_002777 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_002777. Following Lipinski's Rule of Five, ChemDiv2_002777 has 1 hydrogen bond donor(s) and 5 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 ChemDiv2_002777?
The CAS number of ChemDiv2_002777 is 36234-62-5.
What is the molecular formula of ChemDiv2_002777?
The molecular formula of ChemDiv2_002777 is C10H7N3S2.
What is the molecular weight of ChemDiv2_002777?
The molecular weight of ChemDiv2_002777 is 233.01 g/mol.
Where can I buy ChemDiv2_002777?
You can request a quote for ChemDiv2_002777 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_002777?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_002777 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.