(Adamantan-2-ylamino)(butylamino)methane-1-thione
TL;DR: (Adamantan-2-ylamino)(butylamino)methane-1-thione (CAS 87170-66-9) is a chemical compound with molecular formula C15H26N2S and molecular weight 266.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-adamantyl)-3-butylthiourea
Also Known As: 1-(2-adamantyl)-3-butylthiourea, N-(Adamantan-2-yl)-N'-butylthiourea, (adamantan-2-ylamino)(butylamino)methane-1-thione, 1-butyl-3-tricyclo[3.3.1.1~3,7~]dec-2-ylthiourea, Thiourea, N-butyl-N'-tricyclo[3.3.1.13,7]dec-2-yl-
| Molecular Formula | C15H26N2S |
|---|---|
| Molecular Weight | 266.18 g/mol |
| LogP | 3.0753 |
| Topological Polar Surface Area | 24.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 266.18167 |
| Heavy Atoms | 18 |
| Complexity | 287.61545 |
Chemical Identifiers
| CAS Number | 87170-66-9 |
|---|---|
| SMILES | CCCCNC(=S)NC1C2CC3CC(C2)CC1C3 |
Product Overview
(Adamantan-2-ylamino)(butylamino)methane-1-thione (CAS 87170-66-9), with molecular formula C15H26N2S and molecular weight 266.18 g/mol. IUPAC: 1-(2-adamantyl)-3-butylthiourea.
Chemical Property Profile of (Adamantan-2-ylamino)(butylamino)methane-1-thione
Property Insights of (Adamantan-2-ylamino)(butylamino)methane-1-thione
The XLogP value of 3.0753 indicates that (Adamantan-2-ylamino)(butylamino)methane-1-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.06 Ų, (Adamantan-2-ylamino)(butylamino)methane-1-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Adamantan-2-ylamino)(butylamino)methane-1-thione has 2 hydrogen bond donor(s) and 1 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 (Adamantan-2-ylamino)(butylamino)methane-1-thione?
The CAS number of (Adamantan-2-ylamino)(butylamino)methane-1-thione is 87170-66-9.
What is the molecular formula of (Adamantan-2-ylamino)(butylamino)methane-1-thione?
The molecular formula of (Adamantan-2-ylamino)(butylamino)methane-1-thione is C15H26N2S.
What is the molecular weight of (Adamantan-2-ylamino)(butylamino)methane-1-thione?
The molecular weight of (Adamantan-2-ylamino)(butylamino)methane-1-thione is 266.18 g/mol.
Where can I buy (Adamantan-2-ylamino)(butylamino)methane-1-thione?
You can request a quote for (Adamantan-2-ylamino)(butylamino)methane-1-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Adamantan-2-ylamino)(butylamino)methane-1-thione?
Yes, KEHONG BIO provides custom synthesis services for (Adamantan-2-ylamino)(butylamino)methane-1-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.