![Benzenamine, 4-[(4-methyl-2-pyrimidinyl)thio]- structure](/static/products/3972/397242-08-9.webp)
Benzenamine, 4-[(4-methyl-2-pyrimidinyl)thio]-
TL;DR: Benzenamine, 4-[(4-methyl-2-pyrimidinyl)thio]- (CAS 397242-08-9) is a chemical compound with molecular formula C11H11N3S and molecular weight 217.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methylpyrimidin-2-yl)sulfanylaniline
Also Known As: Peakdale1_001043, 4-(4-methylpyrimidin-2-yl)sulfanylaniline, 4-[(4-methylpyrimidin-2-yl)sulfanyl]aniline, Benzenamine, 4-[(4-methyl-2-pyrimidinyl)thio]-, 4-((4-Methylpyrimidin-2-yl)thio)aniline
| Molecular Formula | C11H11N3S |
|---|---|
| Molecular Weight | 217.07 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 77.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.06737 |
| Heavy Atoms | 15 |
| Complexity | 192.0 |
Chemical Identifiers
| CAS Number | 397242-08-9 |
|---|---|
| SMILES | CC1=NC(=NC=C1)SC2=CC=C(C=C2)N |
| InChIKey | MVKZLXKKLBRMPQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenamine, 4-[(4-methyl-2-pyrimidinyl)thio]- (CAS 397242-08-9), with molecular formula C11H11N3S and molecular weight 217.07 g/mol. IUPAC: 4-(4-methylpyrimidin-2-yl)sulfanylaniline.
Chemical Property Profile of Benzenamine, 4-[(4-methyl-2-pyrimidinyl)thio]-
Property Insights of Benzenamine, 4-[(4-methyl-2-pyrimidinyl)thio]-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenamine, 4-[(4-methyl-2-pyrimidinyl)thio]-. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenamine, 4-[(4-methyl-2-pyrimidinyl)thio]-. Following Lipinski's Rule of Five, Benzenamine, 4-[(4-methyl-2-pyrimidinyl)thio]- has 1 hydrogen bond donor(s) and 4 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 Benzenamine, 4-[(4-methyl-2-pyrimidinyl)thio]-?
The CAS number of Benzenamine, 4-[(4-methyl-2-pyrimidinyl)thio]- is 397242-08-9.
What is the molecular formula of Benzenamine, 4-[(4-methyl-2-pyrimidinyl)thio]-?
The molecular formula of Benzenamine, 4-[(4-methyl-2-pyrimidinyl)thio]- is C11H11N3S.
What is the molecular weight of Benzenamine, 4-[(4-methyl-2-pyrimidinyl)thio]-?
The molecular weight of Benzenamine, 4-[(4-methyl-2-pyrimidinyl)thio]- is 217.07 g/mol.
Where can I buy Benzenamine, 4-[(4-methyl-2-pyrimidinyl)thio]-?
You can request a quote for Benzenamine, 4-[(4-methyl-2-pyrimidinyl)thio]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenamine, 4-[(4-methyl-2-pyrimidinyl)thio]-?
Yes, KEHONG BIO provides custom synthesis services for Benzenamine, 4-[(4-methyl-2-pyrimidinyl)thio]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.