Methanethiol, N-(3-benzyloxypropyl)amidino-, hydrogen sulfate (ester)
TL;DR: Methanethiol, N-(3-benzyloxypropyl)amidino-, hydrogen sulfate (ester) (CAS 40283-92-9) is a chemical compound with molecular formula C12H18N2O4S2 and molecular weight 318.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(1-amino-2-sulfosulfanylethylidene)amino]propoxymethylbenzene
Also Known As: 17-Deoxymethansone, Methanethiol, N-(3-benzyloxypropyl)amidino-, hydrogen sulfate (ester), S-((N-(3-Benzyloxypropyl)amidino)methyl) hydrogen thiosulfate, 3-[(1-amino-2-sulfosulfanylethylidene)amino]propoxymethylbenzene, s-[(2z)-2-amino-2-{[3-(benzyloxy)propyl]imino}ethyl] hydrogen sulfurothioate
| Molecular Formula | C12H18N2O4S2 |
|---|---|
| Molecular Weight | 318.07 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 318.0708 |
| Heavy Atoms | 20 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 40283-92-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)COCCCN=C(CSS(=O)(=O)O)N |
| InChIKey | JCDVXGPHXXODML-UHFFFAOYSA-N |
Product Overview
Methanethiol, N-(3-benzyloxypropyl)amidino-, hydrogen sulfate (ester) (CAS 40283-92-9), with molecular formula C12H18N2O4S2 and molecular weight 318.07 g/mol. IUPAC: 3-[(1-amino-2-sulfosulfanylethylidene)amino]propoxymethylbenzene.
Chemical Property Profile of Methanethiol, N-(3-benzyloxypropyl)amidino-, hydrogen sulfate (ester)
Property Insights of Methanethiol, N-(3-benzyloxypropyl)amidino-, hydrogen sulfate (ester)
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methanethiol, N-(3-benzyloxypropyl)amidino-, hydrogen sulfate (ester). The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methanethiol, N-(3-benzyloxypropyl)amidino-, hydrogen sulfate (ester). Following Lipinski's Rule of Five, Methanethiol, N-(3-benzyloxypropyl)amidino-, hydrogen sulfate (ester) has 2 hydrogen bond donor(s) and 6 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-benzyloxypropyl)amidino-, hydrogen sulfate (ester)?
The CAS number of Methanethiol, N-(3-benzyloxypropyl)amidino-, hydrogen sulfate (ester) is 40283-92-9.
What is the molecular formula of Methanethiol, N-(3-benzyloxypropyl)amidino-, hydrogen sulfate (ester)?
The molecular formula of Methanethiol, N-(3-benzyloxypropyl)amidino-, hydrogen sulfate (ester) is C12H18N2O4S2.
What is the molecular weight of Methanethiol, N-(3-benzyloxypropyl)amidino-, hydrogen sulfate (ester)?
The molecular weight of Methanethiol, N-(3-benzyloxypropyl)amidino-, hydrogen sulfate (ester) is 318.07 g/mol.
Where can I buy Methanethiol, N-(3-benzyloxypropyl)amidino-, hydrogen sulfate (ester)?
You can request a quote for Methanethiol, N-(3-benzyloxypropyl)amidino-, hydrogen sulfate (ester) 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-benzyloxypropyl)amidino-, hydrogen sulfate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Methanethiol, N-(3-benzyloxypropyl)amidino-, hydrogen sulfate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.