N-allyl-N-phenylbenzenecarbothioamide
TL;DR: N-allyl-N-phenylbenzenecarbothioamide (CAS 6391-93-1) is a chemical compound with molecular formula C16H15NS and molecular weight 253.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-phenyl-N-prop-2-enylbenzenecarbothioamide
Also Known As: n-allylthiobenzanilide, N-allyl-N-phenylbenzenecarbothioamide, N-phenyl-N-prop-2-enylbenzenecarbothioamide, N-phenyl-N-prop-2-enyl-benzenecarbothioamide
| Molecular Formula | C16H15NS |
|---|---|
| Molecular Weight | 253.09 g/mol |
| LogP | 4.0547 |
| Topological Polar Surface Area | 3.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 253.09251 |
| Heavy Atoms | 18 |
| Complexity | 519.3079 |
Chemical Identifiers
| CAS Number | 6391-93-1 |
|---|---|
| SMILES | C=CCN(C1=CC=CC=C1)C(=S)C2=CC=CC=C2 |
Product Overview
N-allyl-N-phenylbenzenecarbothioamide (CAS 6391-93-1), with molecular formula C16H15NS and molecular weight 253.09 g/mol. IUPAC: N-phenyl-N-prop-2-enylbenzenecarbothioamide.
Chemical Property Profile of N-allyl-N-phenylbenzenecarbothioamide
Property Insights of N-allyl-N-phenylbenzenecarbothioamide
The XLogP value of 4.0547 indicates that N-allyl-N-phenylbenzenecarbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.24 Ų, N-allyl-N-phenylbenzenecarbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-allyl-N-phenylbenzenecarbothioamide has 0 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-allyl-N-phenylbenzenecarbothioamide?
The CAS number of N-allyl-N-phenylbenzenecarbothioamide is 6391-93-1.
What is the molecular formula of N-allyl-N-phenylbenzenecarbothioamide?
The molecular formula of N-allyl-N-phenylbenzenecarbothioamide is C16H15NS.
What is the molecular weight of N-allyl-N-phenylbenzenecarbothioamide?
The molecular weight of N-allyl-N-phenylbenzenecarbothioamide is 253.09 g/mol.
Where can I buy N-allyl-N-phenylbenzenecarbothioamide?
You can request a quote for N-allyl-N-phenylbenzenecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-allyl-N-phenylbenzenecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-allyl-N-phenylbenzenecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.