Thiadrine thiocyanate
TL;DR: Thiadrine thiocyanate (CAS 24702-95-2) is a chemical compound with molecular formula C12H15N3S2 and molecular weight 265.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dimethyl-5-phenyl-1,3-thiazolidin-2-imine;thiocyanic acid
Also Known As: Thiadrine thiocyanate, THIADRIN THIOCYANATE, 2-Imino-3,4-dimethyl-5-phenylthiazolidine thiocyanate, 2-Imino-3,4-dimethyl-5-phenylthiazolidine hydrorhodanide, Thiazolidine, 3,4-dimethyl-2-imino-5-phenyl-, thiocyanate
| Molecular Formula | C12H15N3S2 |
|---|---|
| Molecular Weight | 265.07 g/mol |
| LogP | 3.13 |
| Topological Polar Surface Area | 77.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 265.07074 |
| Heavy Atoms | 17 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 24702-95-2 |
|---|---|
| SMILES | CC1C(SC(=N)N1C)C2=CC=CC=C2.C(#N)S |
| InChIKey | WNDFVBQJYJRMQO-UHFFFAOYSA-N |
Product Overview
Thiadrine thiocyanate (CAS 24702-95-2), with molecular formula C12H15N3S2 and molecular weight 265.07 g/mol. IUPAC: 3,4-dimethyl-5-phenyl-1,3-thiazolidin-2-imine;thiocyanic acid.
Chemical Property Profile of Thiadrine thiocyanate
Property Insights of Thiadrine thiocyanate
The XLogP value of 3.13 indicates that Thiadrine thiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiadrine thiocyanate. Following Lipinski's Rule of Five, Thiadrine thiocyanate has 2 hydrogen bond donor(s) and 4 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 Thiadrine thiocyanate?
The CAS number of Thiadrine thiocyanate is 24702-95-2.
What is the molecular formula of Thiadrine thiocyanate?
The molecular formula of Thiadrine thiocyanate is C12H15N3S2.
What is the molecular weight of Thiadrine thiocyanate?
The molecular weight of Thiadrine thiocyanate is 265.07 g/mol.
Where can I buy Thiadrine thiocyanate?
You can request a quote for Thiadrine thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiadrine thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for Thiadrine thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.