3-chloro-N-methyladamantane-1-carbothioamide
TL;DR: 3-chloro-N-methyladamantane-1-carbothioamide (CAS 201992-56-5) is a chemical compound with molecular formula C12H18ClNS and molecular weight 243.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-methyladamantane-1-carbothioamide
Also Known As: 3-chloro-N-methyladamantane-1-carbothioamide, 3-chloro-N-methyltricyclo[3.3.1.1~3,7~]decane-1-carbothioamide, (1R,3S,5R,7S)-3-CHLORO-N-METHYLADAMANTANE-1-CARBOTHIOAMIDE
| Molecular Formula | C12H18ClNS |
|---|---|
| Molecular Weight | 243.08 g/mol |
| LogP | 3.111 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 243.08485 |
| Heavy Atoms | 15 |
| Complexity | 300.744 |
Chemical Identifiers
| CAS Number | 201992-56-5 |
|---|---|
| SMILES | CNC(=S)C12CC3CC(C1)CC(C3)(C2)Cl |
Product Overview
3-chloro-N-methyladamantane-1-carbothioamide (CAS 201992-56-5), with molecular formula C12H18ClNS and molecular weight 243.08 g/mol. IUPAC: 3-chloro-N-methyladamantane-1-carbothioamide.
Chemical Property Profile of 3-chloro-N-methyladamantane-1-carbothioamide
Property Insights of 3-chloro-N-methyladamantane-1-carbothioamide
The XLogP value of 3.111 indicates that 3-chloro-N-methyladamantane-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.03 Ų, 3-chloro-N-methyladamantane-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-chloro-N-methyladamantane-1-carbothioamide has 1 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 3-chloro-N-methyladamantane-1-carbothioamide?
The CAS number of 3-chloro-N-methyladamantane-1-carbothioamide is 201992-56-5.
What is the molecular formula of 3-chloro-N-methyladamantane-1-carbothioamide?
The molecular formula of 3-chloro-N-methyladamantane-1-carbothioamide is C12H18ClNS.
What is the molecular weight of 3-chloro-N-methyladamantane-1-carbothioamide?
The molecular weight of 3-chloro-N-methyladamantane-1-carbothioamide is 243.08 g/mol.
Where can I buy 3-chloro-N-methyladamantane-1-carbothioamide?
You can request a quote for 3-chloro-N-methyladamantane-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chloro-N-methyladamantane-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-N-methyladamantane-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.