(Dimethylamino)(4-nitrobenzene-1-sulfonyl)methanethione
TL;DR: (Dimethylamino)(4-nitrobenzene-1-sulfonyl)methanethione (CAS 38944-89-7) is a chemical compound with molecular formula C9H10N2O4S2 and molecular weight 274.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-1-(4-nitrophenyl)sulfonylmethanethioamide
Also Known As: N,N-dimethyl-1-(4-nitrophenyl)sulfonylmethanethioamide, (Dimethylamino)(4-nitrobenzene-1-sulfonyl)methanethione, Methanethioamide,N-dimethyl-1-[(4-nitrophenyl)sulfonyl]-
| Molecular Formula | C9H10N2O4S2 |
|---|---|
| Molecular Weight | 274.01 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 274.0082 |
| Heavy Atoms | 17 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 38944-89-7 |
|---|---|
| SMILES | CN(C)C(=S)S(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | VKGXYEIBCJSESQ-UHFFFAOYSA-N |
Product Overview
(Dimethylamino)(4-nitrobenzene-1-sulfonyl)methanethione (CAS 38944-89-7), with molecular formula C9H10N2O4S2 and molecular weight 274.01 g/mol. IUPAC: N,N-dimethyl-1-(4-nitrophenyl)sulfonylmethanethioamide.
Chemical Property Profile of (Dimethylamino)(4-nitrobenzene-1-sulfonyl)methanethione
Property Insights of (Dimethylamino)(4-nitrobenzene-1-sulfonyl)methanethione
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Dimethylamino)(4-nitrobenzene-1-sulfonyl)methanethione. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (Dimethylamino)(4-nitrobenzene-1-sulfonyl)methanethione. Following Lipinski's Rule of Five, (Dimethylamino)(4-nitrobenzene-1-sulfonyl)methanethione has 0 hydrogen bond donor(s) and 5 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 (Dimethylamino)(4-nitrobenzene-1-sulfonyl)methanethione?
The CAS number of (Dimethylamino)(4-nitrobenzene-1-sulfonyl)methanethione is 38944-89-7.
What is the molecular formula of (Dimethylamino)(4-nitrobenzene-1-sulfonyl)methanethione?
The molecular formula of (Dimethylamino)(4-nitrobenzene-1-sulfonyl)methanethione is C9H10N2O4S2.
What is the molecular weight of (Dimethylamino)(4-nitrobenzene-1-sulfonyl)methanethione?
The molecular weight of (Dimethylamino)(4-nitrobenzene-1-sulfonyl)methanethione is 274.01 g/mol.
Where can I buy (Dimethylamino)(4-nitrobenzene-1-sulfonyl)methanethione?
You can request a quote for (Dimethylamino)(4-nitrobenzene-1-sulfonyl)methanethione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Dimethylamino)(4-nitrobenzene-1-sulfonyl)methanethione?
Yes, KEHONG BIO provides custom synthesis services for (Dimethylamino)(4-nitrobenzene-1-sulfonyl)methanethione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.