4-Methanesulfonylbenzene-1-carbothioamide
TL;DR: 4-Methanesulfonylbenzene-1-carbothioamide (CAS 875841-36-4) is a chemical compound with molecular formula C8H9NO2S2 and molecular weight 215.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylsulfonylbenzenecarbothioamide
Also Known As: 4-methanesulfonylbenzene-1-carbothioamide, 4-methylsulfonylbenzenecarbothioamide, 4-methanesulfonylbenzenecarbothioamide, Benzenecarbothioamide, 4-(methylsulfonyl)-
| Molecular Formula | C8H9NO2S2 |
|---|---|
| Molecular Weight | 215.01 g/mol |
| LogP | 0.7243 |
| Topological Polar Surface Area | 60.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 215.00748 |
| Heavy Atoms | 13 |
| Complexity | 419.9622 |
Chemical Identifiers
| CAS Number | 875841-36-4 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC=C(C=C1)C(=S)N |
Product Overview
4-Methanesulfonylbenzene-1-carbothioamide (CAS 875841-36-4), with molecular formula C8H9NO2S2 and molecular weight 215.01 g/mol. IUPAC: 4-methylsulfonylbenzenecarbothioamide.
Chemical Property Profile of 4-Methanesulfonylbenzene-1-carbothioamide
Property Insights of 4-Methanesulfonylbenzene-1-carbothioamide
The XLogP value of 0.7243 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methanesulfonylbenzene-1-carbothioamide. The TPSA of 60.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methanesulfonylbenzene-1-carbothioamide. Following Lipinski's Rule of Five, 4-Methanesulfonylbenzene-1-carbothioamide 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-Methanesulfonylbenzene-1-carbothioamide?
The CAS number of 4-Methanesulfonylbenzene-1-carbothioamide is 875841-36-4.
What is the molecular formula of 4-Methanesulfonylbenzene-1-carbothioamide?
The molecular formula of 4-Methanesulfonylbenzene-1-carbothioamide is C8H9NO2S2.
What is the molecular weight of 4-Methanesulfonylbenzene-1-carbothioamide?
The molecular weight of 4-Methanesulfonylbenzene-1-carbothioamide is 215.01 g/mol.
Where can I buy 4-Methanesulfonylbenzene-1-carbothioamide?
You can request a quote for 4-Methanesulfonylbenzene-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methanesulfonylbenzene-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-Methanesulfonylbenzene-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.