1-(1-Methylpyridin-2-ylidene)-3-phenylthiourea
TL;DR: 1-(1-Methylpyridin-2-ylidene)-3-phenylthiourea (CAS 77607-96-6) is a chemical compound with molecular formula C13H13N3S and molecular weight 243.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-methyl-2-pyridinylidene)-3-phenylthiourea
Also Known As: ZERO/005789, 1-(1-methylpyridin-2-ylidene)-3-phenylthiourea, 1-(1-methyl-2-pyridylidene)-3-phenyl-thiourea, Thiourea, N-(1-methyl-2(1H)-pyridinylidene)-N'-phenyl-
| Molecular Formula | C13H13N3S |
|---|---|
| Molecular Weight | 243.08 g/mol |
| LogP | 2.3228 |
| Topological Polar Surface Area | 29.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 243.08302 |
| Heavy Atoms | 17 |
| Complexity | 572.4734 |
Chemical Identifiers
| CAS Number | 77607-96-6 |
|---|---|
| SMILES | CN1C=CC=CC1=NC(=S)NC2=CC=CC=C2 |
Product Overview
1-(1-Methylpyridin-2-ylidene)-3-phenylthiourea (CAS 77607-96-6), with molecular formula C13H13N3S and molecular weight 243.08 g/mol. IUPAC: 1-(1-methyl-2-pyridinylidene)-3-phenylthiourea.
Chemical Property Profile of 1-(1-Methylpyridin-2-ylidene)-3-phenylthiourea
Property Insights of 1-(1-Methylpyridin-2-ylidene)-3-phenylthiourea
The XLogP value of 2.3228 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1-Methylpyridin-2-ylidene)-3-phenylthiourea. With a topological polar surface area (TPSA) of 29.32 Ų, 1-(1-Methylpyridin-2-ylidene)-3-phenylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1-Methylpyridin-2-ylidene)-3-phenylthiourea 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 1-(1-Methylpyridin-2-ylidene)-3-phenylthiourea?
The CAS number of 1-(1-Methylpyridin-2-ylidene)-3-phenylthiourea is 77607-96-6.
What is the molecular formula of 1-(1-Methylpyridin-2-ylidene)-3-phenylthiourea?
The molecular formula of 1-(1-Methylpyridin-2-ylidene)-3-phenylthiourea is C13H13N3S.
What is the molecular weight of 1-(1-Methylpyridin-2-ylidene)-3-phenylthiourea?
The molecular weight of 1-(1-Methylpyridin-2-ylidene)-3-phenylthiourea is 243.08 g/mol.
Where can I buy 1-(1-Methylpyridin-2-ylidene)-3-phenylthiourea?
You can request a quote for 1-(1-Methylpyridin-2-ylidene)-3-phenylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1-Methylpyridin-2-ylidene)-3-phenylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-Methylpyridin-2-ylidene)-3-phenylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.