4-Methylthiobenzamide-S-oxide
TL;DR: 4-Methylthiobenzamide-S-oxide (CAS 75554-00-6) is a chemical compound with molecular formula C8H9NOS and molecular weight 167.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methylphenyl)-sulfinylmethanamine
Also Known As: 4-Pmtbso, Ingenol 3-angelate, 4-Methylthiobenzamide-S-oxide, (4-methylphenyl)-sulfinylmethanamine, Benzenecarbothioamide, 4-methyl-, S-oxide
| Molecular Formula | C8H9NOS |
|---|---|
| Molecular Weight | 167.04 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 167.04048 |
| Heavy Atoms | 11 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 75554-00-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=S=O)N |
| InChIKey | WTGWOZOXYNUTSS-UHFFFAOYSA-N |
Product Overview
4-Methylthiobenzamide-S-oxide (CAS 75554-00-6), with molecular formula C8H9NOS and molecular weight 167.04 g/mol. IUPAC: (4-methylphenyl)-sulfinylmethanamine.
Chemical Property Profile of 4-Methylthiobenzamide-S-oxide
Property Insights of 4-Methylthiobenzamide-S-oxide
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methylthiobenzamide-S-oxide. With a topological polar surface area (TPSA) of 44.1 Ų, 4-Methylthiobenzamide-S-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylthiobenzamide-S-oxide 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-Methylthiobenzamide-S-oxide?
The CAS number of 4-Methylthiobenzamide-S-oxide is 75554-00-6.
What is the molecular formula of 4-Methylthiobenzamide-S-oxide?
The molecular formula of 4-Methylthiobenzamide-S-oxide is C8H9NOS.
What is the molecular weight of 4-Methylthiobenzamide-S-oxide?
The molecular weight of 4-Methylthiobenzamide-S-oxide is 167.04 g/mol.
Where can I buy 4-Methylthiobenzamide-S-oxide?
You can request a quote for 4-Methylthiobenzamide-S-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylthiobenzamide-S-oxide?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylthiobenzamide-S-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.