N-phenylazepane-1-carbothioamide
TL;DR: N-phenylazepane-1-carbothioamide (CAS 64919-31-9) is a chemical compound with molecular formula C13H18N2S and molecular weight 234.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-phenylazepane-1-carbothioamide
Also Known As: N-phenylazepane-1-carbothioamide, N-phenyl-1-azepanecarbothioamide, Azepane-1-carbothioic acid phenylamide, N,N-hexamethylene-N'-phenylthiourea, BAS 00843735
| Molecular Formula | C13H18N2S |
|---|---|
| Molecular Weight | 234.12 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 47.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 234.11906 |
| Heavy Atoms | 16 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 64919-31-9 |
|---|---|
| SMILES | C1CCCN(CC1)C(=S)NC2=CC=CC=C2 |
| InChIKey | ULNNAURUINOGHW-UHFFFAOYSA-N |
Product Overview
N-phenylazepane-1-carbothioamide (CAS 64919-31-9), with molecular formula C13H18N2S and molecular weight 234.12 g/mol. IUPAC: N-phenylazepane-1-carbothioamide.
Chemical Property Profile of N-phenylazepane-1-carbothioamide
Property Insights of N-phenylazepane-1-carbothioamide
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-phenylazepane-1-carbothioamide. With a topological polar surface area (TPSA) of 47.4 Ų, N-phenylazepane-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-phenylazepane-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 N-phenylazepane-1-carbothioamide?
The CAS number of N-phenylazepane-1-carbothioamide is 64919-31-9.
What is the molecular formula of N-phenylazepane-1-carbothioamide?
The molecular formula of N-phenylazepane-1-carbothioamide is C13H18N2S.
What is the molecular weight of N-phenylazepane-1-carbothioamide?
The molecular weight of N-phenylazepane-1-carbothioamide is 234.12 g/mol.
Where can I buy N-phenylazepane-1-carbothioamide?
You can request a quote for N-phenylazepane-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-phenylazepane-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-phenylazepane-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.