1-Adamantyl imidothiocarbamate
TL;DR: 1-Adamantyl imidothiocarbamate (CAS 30771-94-9) is a chemical compound with molecular formula C11H18N2S and molecular weight 210.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-adamantyl carbamimidothioate
Also Known As: 1-Adamantyl imidothiocarbamate, adamantanylthiocarboxamidine, 1-adamantyl carbamimidothioate, 2-(1-adamantyl)isothiourea, IFLab1_000374
| Molecular Formula | C11H18N2S |
|---|---|
| Molecular Weight | 210.12 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 75.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 210.11906 |
| Heavy Atoms | 14 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 30771-94-9 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)SC(=N)N |
| InChIKey | RBDWZEUGWWHIAF-UHFFFAOYSA-N |
Product Overview
1-Adamantyl imidothiocarbamate (CAS 30771-94-9), with molecular formula C11H18N2S and molecular weight 210.12 g/mol. IUPAC: 1-adamantyl carbamimidothioate.
Chemical Property Profile of 1-Adamantyl imidothiocarbamate
Property Insights of 1-Adamantyl imidothiocarbamate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Adamantyl imidothiocarbamate. The TPSA of 75.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Adamantyl imidothiocarbamate. Following Lipinski's Rule of Five, 1-Adamantyl imidothiocarbamate has 2 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 1-Adamantyl imidothiocarbamate?
The CAS number of 1-Adamantyl imidothiocarbamate is 30771-94-9.
What is the molecular formula of 1-Adamantyl imidothiocarbamate?
The molecular formula of 1-Adamantyl imidothiocarbamate is C11H18N2S.
What is the molecular weight of 1-Adamantyl imidothiocarbamate?
The molecular weight of 1-Adamantyl imidothiocarbamate is 210.12 g/mol.
Where can I buy 1-Adamantyl imidothiocarbamate?
You can request a quote for 1-Adamantyl imidothiocarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Adamantyl imidothiocarbamate?
Yes, KEHONG BIO provides custom synthesis services for 1-Adamantyl imidothiocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.