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Amidosulfenyl chloride, N-methyl-N-[(4-methylphenyl)sulfonyl]-
TL;DR: Amidosulfenyl chloride, N-methyl-N-[(4-methylphenyl)sulfonyl]- (CAS 52913-45-8) is a chemical compound with molecular formula C8H10ClNO2S2 and molecular weight 250.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[methyl-(4-methylphenyl)sulfonylamino] thiohypochlorite
Also Known As: Amidosulfenyl chloride, methyl((4-methylphenyl)sulfonyl)-, N-Methyl-N-(chlorothio)-p-toluenesulfonamide, N-chlorothio-N-methyl-p-toluenesulfonamide, n-(chlorosulfanyl)-n,4-dimethylbenzenesulfonamide, N-(chlorothio)-N,4-dimethylbenzenesulfonamide
| Molecular Formula | C8H10ClNO2S2 |
|---|---|
| Molecular Weight | 250.98 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.98415 |
| Heavy Atoms | 14 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 52913-45-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N(C)SCl |
| InChIKey | NAWQKWLDGDPPJR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Amidosulfenyl chloride, N-methyl-N-[(4-methylphenyl)sulfonyl]- (CAS 52913-45-8), with molecular formula C8H10ClNO2S2 and molecular weight 250.98 g/mol. IUPAC: [methyl-(4-methylphenyl)sulfonylamino] thiohypochlorite.
Chemical Property Profile of Amidosulfenyl chloride, N-methyl-N-[(4-methylphenyl)sulfonyl]-
Property Insights of Amidosulfenyl chloride, N-methyl-N-[(4-methylphenyl)sulfonyl]-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Amidosulfenyl chloride, N-methyl-N-[(4-methylphenyl)sulfonyl]-. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Amidosulfenyl chloride, N-methyl-N-[(4-methylphenyl)sulfonyl]-. Following Lipinski's Rule of Five, Amidosulfenyl chloride, N-methyl-N-[(4-methylphenyl)sulfonyl]- has 0 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 Amidosulfenyl chloride, N-methyl-N-[(4-methylphenyl)sulfonyl]-?
The CAS number of Amidosulfenyl chloride, N-methyl-N-[(4-methylphenyl)sulfonyl]- is 52913-45-8.
What is the molecular formula of Amidosulfenyl chloride, N-methyl-N-[(4-methylphenyl)sulfonyl]-?
The molecular formula of Amidosulfenyl chloride, N-methyl-N-[(4-methylphenyl)sulfonyl]- is C8H10ClNO2S2.
What is the molecular weight of Amidosulfenyl chloride, N-methyl-N-[(4-methylphenyl)sulfonyl]-?
The molecular weight of Amidosulfenyl chloride, N-methyl-N-[(4-methylphenyl)sulfonyl]- is 250.98 g/mol.
Where can I buy Amidosulfenyl chloride, N-methyl-N-[(4-methylphenyl)sulfonyl]-?
You can request a quote for Amidosulfenyl chloride, N-methyl-N-[(4-methylphenyl)sulfonyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Amidosulfenyl chloride, N-methyl-N-[(4-methylphenyl)sulfonyl]-?
Yes, KEHONG BIO provides custom synthesis services for Amidosulfenyl chloride, N-methyl-N-[(4-methylphenyl)sulfonyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.