4-(Methylthio)thiobenzamide
TL;DR: 4-(Methylthio)thiobenzamide (CAS 53550-91-7) is a chemical compound with molecular formula C8H9NS2 and molecular weight 183.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylsulfanylbenzenecarbothioamide
Also Known As: 4-(Methylthio)thiobenzamide, 4-(Methylthio)benzothioamide, 4-(methylsulfanyl)benzene-1-carbothioamide, 4-(methylthio)benzenecarbothioamide, 4-methylsulfanylbenzenecarbothioamide
| Molecular Formula | C8H9NS2 |
|---|---|
| Molecular Weight | 183.02 g/mol |
| LogP | 2.0427 |
| Topological Polar Surface Area | 26.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 183.01764 |
| Heavy Atoms | 11 |
| Complexity | 253.2995 |
Chemical Identifiers
| CAS Number | 53550-91-7 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)C(=S)N |
Product Overview
4-(Methylthio)thiobenzamide (CAS 53550-91-7), with molecular formula C8H9NS2 and molecular weight 183.02 g/mol. IUPAC: 4-methylsulfanylbenzenecarbothioamide.
Chemical Property Profile of 4-(Methylthio)thiobenzamide
Property Insights of 4-(Methylthio)thiobenzamide
The XLogP value of 2.0427 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Methylthio)thiobenzamide. With a topological polar surface area (TPSA) of 26.02 Ų, 4-(Methylthio)thiobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Methylthio)thiobenzamide 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 4-(Methylthio)thiobenzamide?
The CAS number of 4-(Methylthio)thiobenzamide is 53550-91-7.
What is the molecular formula of 4-(Methylthio)thiobenzamide?
The molecular formula of 4-(Methylthio)thiobenzamide is C8H9NS2.
What is the molecular weight of 4-(Methylthio)thiobenzamide?
The molecular weight of 4-(Methylthio)thiobenzamide is 183.02 g/mol.
Where can I buy 4-(Methylthio)thiobenzamide?
You can request a quote for 4-(Methylthio)thiobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Methylthio)thiobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(Methylthio)thiobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.