N-pyridin-3-ylbenzenecarbothioamide
TL;DR: N-pyridin-3-ylbenzenecarbothioamide (CAS 59171-46-9) is a chemical compound with molecular formula C12H10N2S and molecular weight 214.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-pyridin-3-ylbenzenecarbothioamide
Also Known As: N-(3-pyridinyl)phenylthioamide, N-pyridin-3-ylbenzenecarbothioamide
| Molecular Formula | C12H10N2S |
|---|---|
| Molecular Weight | 214.06 g/mol |
| LogP | 2.8692 |
| Topological Polar Surface Area | 24.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 214.05647 |
| Heavy Atoms | 15 |
| Complexity | 439.694 |
Chemical Identifiers
| CAS Number | 59171-46-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=S)NC2=CN=CC=C2 |
Product Overview
N-pyridin-3-ylbenzenecarbothioamide (CAS 59171-46-9), with molecular formula C12H10N2S and molecular weight 214.06 g/mol. IUPAC: N-pyridin-3-ylbenzenecarbothioamide.
Chemical Property Profile of N-pyridin-3-ylbenzenecarbothioamide
Property Insights of N-pyridin-3-ylbenzenecarbothioamide
The XLogP value of 2.8692 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-pyridin-3-ylbenzenecarbothioamide. With a topological polar surface area (TPSA) of 24.92 Ų, N-pyridin-3-ylbenzenecarbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-pyridin-3-ylbenzenecarbothioamide has 1 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 N-pyridin-3-ylbenzenecarbothioamide?
The CAS number of N-pyridin-3-ylbenzenecarbothioamide is 59171-46-9.
What is the molecular formula of N-pyridin-3-ylbenzenecarbothioamide?
The molecular formula of N-pyridin-3-ylbenzenecarbothioamide is C12H10N2S.
What is the molecular weight of N-pyridin-3-ylbenzenecarbothioamide?
The molecular weight of N-pyridin-3-ylbenzenecarbothioamide is 214.06 g/mol.
Where can I buy N-pyridin-3-ylbenzenecarbothioamide?
You can request a quote for N-pyridin-3-ylbenzenecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-pyridin-3-ylbenzenecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-pyridin-3-ylbenzenecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.