Carbamic acid, dimethyldithio-, isonicotinamidomethyl ester
TL;DR: Carbamic acid, dimethyldithio-, isonicotinamidomethyl ester (CAS 38221-49-7) is a chemical compound with molecular formula C10H13N3OS2 and molecular weight 255.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(pyridine-4-carbonylamino)methyl N,N-dimethylcarbamodithioate
Also Known As: Dimethyldithiocarbamic acid isonicotinamidomethyl ester, CARBAMIC ACID, DIMETHYLDITHIO-, ISONICOTINAMIDOMETHYL ESTER, isonicotinamidomethyl dimethylcarbamodithioate, N,N-Dimethyl-dithiocarbamidsaeure-((isonicotinoyl-amino)-methyl)-ester [German], (pyridine-4-carbonylamino)methyl N,N-dimethylcarbamodithioate
| Molecular Formula | C10H13N3OS2 |
|---|---|
| Molecular Weight | 255.05 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 255.05 |
| Heavy Atoms | 16 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 38221-49-7 |
|---|---|
| SMILES | CN(C)C(=S)SCNC(=O)C1=CC=NC=C1 |
| InChIKey | JLSQCKFMTNAJKA-UHFFFAOYSA-N |
Product Overview
Carbamic acid, dimethyldithio-, isonicotinamidomethyl ester (CAS 38221-49-7), with molecular formula C10H13N3OS2 and molecular weight 255.05 g/mol. IUPAC: (pyridine-4-carbonylamino)methyl N,N-dimethylcarbamodithioate.
Chemical Property Profile of Carbamic acid, dimethyldithio-, isonicotinamidomethyl ester
Property Insights of Carbamic acid, dimethyldithio-, isonicotinamidomethyl ester
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, dimethyldithio-, isonicotinamidomethyl ester. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, dimethyldithio-, isonicotinamidomethyl ester. Following Lipinski's Rule of Five, Carbamic acid, dimethyldithio-, isonicotinamidomethyl ester 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 Carbamic acid, dimethyldithio-, isonicotinamidomethyl ester?
The CAS number of Carbamic acid, dimethyldithio-, isonicotinamidomethyl ester is 38221-49-7.
What is the molecular formula of Carbamic acid, dimethyldithio-, isonicotinamidomethyl ester?
The molecular formula of Carbamic acid, dimethyldithio-, isonicotinamidomethyl ester is C10H13N3OS2.
What is the molecular weight of Carbamic acid, dimethyldithio-, isonicotinamidomethyl ester?
The molecular weight of Carbamic acid, dimethyldithio-, isonicotinamidomethyl ester is 255.05 g/mol.
Where can I buy Carbamic acid, dimethyldithio-, isonicotinamidomethyl ester?
You can request a quote for Carbamic acid, dimethyldithio-, isonicotinamidomethyl 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, dimethyldithio-, isonicotinamidomethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, dimethyldithio-, isonicotinamidomethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.