Carbamic acid, N-methyl-N-(methylthio)dithio-, 2-nitrophenyl ester
TL;DR: Carbamic acid, N-methyl-N-(methylthio)dithio-, 2-nitrophenyl ester (CAS 64059-04-7) is a chemical compound with molecular formula C9H10N2O2S3 and molecular weight 273.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-nitrophenyl) N-methyl-N-methylsulfanylcarbamodithioate
Also Known As: 2-Nitrophenyl thiodimethyl dithiocarbamate, (2-nitrophenyl) N-methyl-N-methylsulfanylcarbamodithioate, CARBAMIC ACID, N-METHYL-N-(METHYLTHIO)DITHIO-, 2-NITROPHENYL ESTER, N-Methyl-N- dithiocarbamicacid2-nitrophenylester, (2-nitrophenyl)n-methyl-n-methylsulfanylcarbamodithioate
| Molecular Formula | C9H10N2O2S3 |
|---|---|
| Molecular Weight | 273.99 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 273.99045 |
| Heavy Atoms | 16 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 64059-04-7 |
|---|---|
| SMILES | CN(C(=S)SC1=CC=CC=C1[N+](=O)[O-])SC |
| InChIKey | NYDUHPSZYOMTRJ-UHFFFAOYSA-N |
Product Overview
Carbamic acid, N-methyl-N-(methylthio)dithio-, 2-nitrophenyl ester (CAS 64059-04-7), with molecular formula C9H10N2O2S3 and molecular weight 273.99 g/mol. IUPAC: (2-nitrophenyl) N-methyl-N-methylsulfanylcarbamodithioate.
Chemical Property Profile of Carbamic acid, N-methyl-N-(methylthio)dithio-, 2-nitrophenyl ester
Property Insights of Carbamic acid, N-methyl-N-(methylthio)dithio-, 2-nitrophenyl ester
The XLogP value of 3.1 indicates that Carbamic acid, N-methyl-N-(methylthio)dithio-, 2-nitrophenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, N-methyl-N-(methylthio)dithio-, 2-nitrophenyl ester. Following Lipinski's Rule of Five, Carbamic acid, N-methyl-N-(methylthio)dithio-, 2-nitrophenyl ester 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 Carbamic acid, N-methyl-N-(methylthio)dithio-, 2-nitrophenyl ester?
The CAS number of Carbamic acid, N-methyl-N-(methylthio)dithio-, 2-nitrophenyl ester is 64059-04-7.
What is the molecular formula of Carbamic acid, N-methyl-N-(methylthio)dithio-, 2-nitrophenyl ester?
The molecular formula of Carbamic acid, N-methyl-N-(methylthio)dithio-, 2-nitrophenyl ester is C9H10N2O2S3.
What is the molecular weight of Carbamic acid, N-methyl-N-(methylthio)dithio-, 2-nitrophenyl ester?
The molecular weight of Carbamic acid, N-methyl-N-(methylthio)dithio-, 2-nitrophenyl ester is 273.99 g/mol.
Where can I buy Carbamic acid, N-methyl-N-(methylthio)dithio-, 2-nitrophenyl ester?
You can request a quote for Carbamic acid, N-methyl-N-(methylthio)dithio-, 2-nitrophenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, N-methyl-N-(methylthio)dithio-, 2-nitrophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, N-methyl-N-(methylthio)dithio-, 2-nitrophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.