Methanethiol, N-(3,4-dimethylbenzyl)amidino-, hydrogen thiosulfate
TL;DR: Methanethiol, N-(3,4-dimethylbenzyl)amidino-, hydrogen thiosulfate (CAS 63869-36-3) is a chemical compound with molecular formula C11H16N2O3S2 and molecular weight 288.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(1-amino-2-sulfosulfanylethylidene)amino]methyl]-1,2-dimethylbenzene
Also Known As: Methanethiol, N-(3,4-dimethylbenzyl)amidino-, hydrogen thiosulfate, S-((N-(3,4-Dimethylbenzyl)amidino)methyl) hydrogen thiosulfate, N-[3,4-Dimethylbenzylcarboxamidino]methanethiosurfuric acid, s-{(2z)-2-amino-2-[(3,4-dimethylbenzyl)imino]ethyl} hydrogen sulfurothioate, N-(3,4-Dimethylbenzylcarboxamidino)methanethiosurfuric acid
| Molecular Formula | C11H16N2O3S2 |
|---|---|
| Molecular Weight | 288.06 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 288.06024 |
| Heavy Atoms | 18 |
| Complexity | 390.0 |
Chemical Identifiers
| CAS Number | 63869-36-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)CN=C(CSS(=O)(=O)O)N)C |
| InChIKey | SJTMUPFIWQTRER-UHFFFAOYSA-N |
Product Overview
Methanethiol, N-(3,4-dimethylbenzyl)amidino-, hydrogen thiosulfate (CAS 63869-36-3), with molecular formula C11H16N2O3S2 and molecular weight 288.06 g/mol. IUPAC: 4-[[(1-amino-2-sulfosulfanylethylidene)amino]methyl]-1,2-dimethylbenzene.
Chemical Property Profile of Methanethiol, N-(3,4-dimethylbenzyl)amidino-, hydrogen thiosulfate
Property Insights of Methanethiol, N-(3,4-dimethylbenzyl)amidino-, hydrogen thiosulfate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methanethiol, N-(3,4-dimethylbenzyl)amidino-, hydrogen thiosulfate. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methanethiol, N-(3,4-dimethylbenzyl)amidino-, hydrogen thiosulfate. Following Lipinski's Rule of Five, Methanethiol, N-(3,4-dimethylbenzyl)amidino-, hydrogen thiosulfate has 2 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 Methanethiol, N-(3,4-dimethylbenzyl)amidino-, hydrogen thiosulfate?
The CAS number of Methanethiol, N-(3,4-dimethylbenzyl)amidino-, hydrogen thiosulfate is 63869-36-3.
What is the molecular formula of Methanethiol, N-(3,4-dimethylbenzyl)amidino-, hydrogen thiosulfate?
The molecular formula of Methanethiol, N-(3,4-dimethylbenzyl)amidino-, hydrogen thiosulfate is C11H16N2O3S2.
What is the molecular weight of Methanethiol, N-(3,4-dimethylbenzyl)amidino-, hydrogen thiosulfate?
The molecular weight of Methanethiol, N-(3,4-dimethylbenzyl)amidino-, hydrogen thiosulfate is 288.06 g/mol.
Where can I buy Methanethiol, N-(3,4-dimethylbenzyl)amidino-, hydrogen thiosulfate?
You can request a quote for Methanethiol, N-(3,4-dimethylbenzyl)amidino-, hydrogen thiosulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methanethiol, N-(3,4-dimethylbenzyl)amidino-, hydrogen thiosulfate?
Yes, KEHONG BIO provides custom synthesis services for Methanethiol, N-(3,4-dimethylbenzyl)amidino-, hydrogen thiosulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.