![4-[(二甲基氨基甲酰基)硫基]苯甲酸 structure](/static/products/1351/13511-91-6.webp)
4-[(二甲基氨基甲酰基)硫基]苯甲酸
TL;DR: 4-[(二甲基氨基甲酰基)硫基]苯甲酸 (CAS 13511-91-6) is a chemical compound with molecular formula C10H11NO3S and molecular weight 225.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(二甲基氨基甲酰基)硫基]苯甲酸
4-(dimethylcarbamoylsulfanyl)benzoic acid
Also Known As: 4-(dimethylcarbamoylsulfanyl)benzoic acid, 4-[(dimethylcarbamoyl)sulfanyl]benzoic acid
| Molecular Formula | C10H11NO3S |
|---|---|
| Molecular Weight | 225.05 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 82.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 225.04596 |
| Heavy Atoms | 15 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 13511-91-6 |
|---|---|
| SMILES | CN(C)C(=O)SC1=CC=C(C=C1)C(=O)O |
| InChIKey | NNHDQYSEKPLLNK-UHFFFAOYSA-N |
Product Overview
4-[(二甲基氨基甲酰基)硫基]苯甲酸 (CAS 13511-91-6), with molecular formula C10H11NO3S and molecular weight 225.05 g/mol. IUPAC: 4-(dimethylcarbamoylsulfanyl)benzoic acid.
Chemical Property Profile of 4-[(二甲基氨基甲酰基)硫基]苯甲酸
Property Insights of 4-[(二甲基氨基甲酰基)硫基]苯甲酸
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(二甲基氨基甲酰基)硫基]苯甲酸. The TPSA of 82.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(二甲基氨基甲酰基)硫基]苯甲酸. Following Lipinski's Rule of Five, 4-[(二甲基氨基甲酰基)硫基]苯甲酸 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 4-[(二甲基氨基甲酰基)硫基]苯甲酸?
The CAS number of 4-[(二甲基氨基甲酰基)硫基]苯甲酸 is 13511-91-6.
What is the molecular formula of 4-[(二甲基氨基甲酰基)硫基]苯甲酸?
The molecular formula of 4-[(二甲基氨基甲酰基)硫基]苯甲酸 is C10H11NO3S.
What is the molecular weight of 4-[(二甲基氨基甲酰基)硫基]苯甲酸?
The molecular weight of 4-[(二甲基氨基甲酰基)硫基]苯甲酸 is 225.05 g/mol.
Where can I buy 4-[(二甲基氨基甲酰基)硫基]苯甲酸?
You can request a quote for 4-[(二甲基氨基甲酰基)硫基]苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(二甲基氨基甲酰基)硫基]苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 4-[(二甲基氨基甲酰基)硫基]苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.