![4-氨基-3-[(苯硫基)甲基]苯甲腈 structure](/static/products/5321/53218-15-8.webp)
4-氨基-3-[(苯硫基)甲基]苯甲腈
TL;DR: 4-氨基-3-[(苯硫基)甲基]苯甲腈 (CAS 53218-15-8) is a chemical compound with molecular formula C14H12N2S and molecular weight 240.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氨基-3-[(苯硫基)甲基]苯甲腈
4-amino-3-(phenylsulfanylmethyl)benzonitrile
Also Known As: 4-amino-3-(phenylsulfanylmethyl)benzonitrile, 4-Amino-3-[(phenylsulfanyl)methyl]benzonitrile
| Molecular Formula | C14H12N2S |
|---|---|
| Molecular Weight | 240.07 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 75.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 240.07211 |
| Heavy Atoms | 17 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 53218-15-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)SCC2=C(C=CC(=C2)C#N)N |
| InChIKey | BTJHNARILQLNHE-UHFFFAOYSA-N |
Product Overview
4-氨基-3-[(苯硫基)甲基]苯甲腈 (CAS 53218-15-8), with molecular formula C14H12N2S and molecular weight 240.07 g/mol. IUPAC: 4-amino-3-(phenylsulfanylmethyl)benzonitrile.
Chemical Property Profile of 4-氨基-3-[(苯硫基)甲基]苯甲腈
Property Insights of 4-氨基-3-[(苯硫基)甲基]苯甲腈
The XLogP value of 3.0 indicates that 4-氨基-3-[(苯硫基)甲基]苯甲腈 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-氨基-3-[(苯硫基)甲基]苯甲腈. Following Lipinski's Rule of Five, 4-氨基-3-[(苯硫基)甲基]苯甲腈 has 1 hydrogen bond donor(s) and 3 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 4-氨基-3-[(苯硫基)甲基]苯甲腈?
The CAS number of 4-氨基-3-[(苯硫基)甲基]苯甲腈 is 53218-15-8.
What is the molecular formula of 4-氨基-3-[(苯硫基)甲基]苯甲腈?
The molecular formula of 4-氨基-3-[(苯硫基)甲基]苯甲腈 is C14H12N2S.
What is the molecular weight of 4-氨基-3-[(苯硫基)甲基]苯甲腈?
The molecular weight of 4-氨基-3-[(苯硫基)甲基]苯甲腈 is 240.07 g/mol.
Where can I buy 4-氨基-3-[(苯硫基)甲基]苯甲腈?
You can request a quote for 4-氨基-3-[(苯硫基)甲基]苯甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氨基-3-[(苯硫基)甲基]苯甲腈?
Yes, KEHONG BIO provides custom synthesis services for 4-氨基-3-[(苯硫基)甲基]苯甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.