4-(1-Adamantyl)-3-thiosemicarbazide
TL;DR: 4-(1-Adamantyl)-3-thiosemicarbazide (CAS 21126-27-2) is a chemical compound with molecular formula C11H19N3S and molecular weight 225.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-adamantyl)-3-aminothiourea
Also Known As: 4-(1-Adamantyl)-3-thiosemicarbazide, n-(adamantan-1-yl)hydrazinecarbothioamide, Zincnitratehexahydrate, 1-(1-adamantyl)-3-aminothiourea, ChemDiv3_000039
| Molecular Formula | C11H19N3S |
|---|---|
| Molecular Weight | 225.13 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 82.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 225.12997 |
| Heavy Atoms | 15 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 21126-27-2 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)NC(=S)NN |
| InChIKey | XIOUDVJTOYVRTB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(1-Adamantyl)-3-thiosemicarbazide (CAS 21126-27-2), with molecular formula C11H19N3S and molecular weight 225.13 g/mol. IUPAC: 1-(1-adamantyl)-3-aminothiourea.
Chemical Property Profile of 4-(1-Adamantyl)-3-thiosemicarbazide
Property Insights of 4-(1-Adamantyl)-3-thiosemicarbazide
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1-Adamantyl)-3-thiosemicarbazide. The TPSA of 82.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1-Adamantyl)-3-thiosemicarbazide. Following Lipinski's Rule of Five, 4-(1-Adamantyl)-3-thiosemicarbazide has 3 hydrogen bond donor(s) and 2 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-(1-Adamantyl)-3-thiosemicarbazide?
The CAS number of 4-(1-Adamantyl)-3-thiosemicarbazide is 21126-27-2.
What is the molecular formula of 4-(1-Adamantyl)-3-thiosemicarbazide?
The molecular formula of 4-(1-Adamantyl)-3-thiosemicarbazide is C11H19N3S.
What is the molecular weight of 4-(1-Adamantyl)-3-thiosemicarbazide?
The molecular weight of 4-(1-Adamantyl)-3-thiosemicarbazide is 225.13 g/mol.
Where can I buy 4-(1-Adamantyl)-3-thiosemicarbazide?
You can request a quote for 4-(1-Adamantyl)-3-thiosemicarbazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1-Adamantyl)-3-thiosemicarbazide?
Yes, KEHONG BIO provides custom synthesis services for 4-(1-Adamantyl)-3-thiosemicarbazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.