Methanethiol, N-(3-(1-adamantyloxy)propyl)amidino-, hydrogen thiosulfate (ester)
TL;DR: Methanethiol, N-(3-(1-adamantyloxy)propyl)amidino-, hydrogen thiosulfate (ester) (CAS 30771-85-8) is a chemical compound with molecular formula C15H26N2O4S2 and molecular weight 362.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-[(1-amino-2-sulfosulfanylethylidene)amino]propoxy]adamantane
Also Known As: Methanethiol, N-(3-(1-adamantyloxy)propyl)amidino-, hydrogen thiosulfate (ester), S-((N-(3-(1-Adamantyloxy)propyl)amidino)methyl) hydrogen thiosulfate, 1-[3-[(1-amino-2-sulfosulfanylethylidene)amino]propoxy]adamantane, {[(N-{3-[(3r)-adamantan-1-yloxy]propyl}carbamimidoyl)methyl]sulfanyl}sulfonic acid, S-[(2Z)-2-({3-[(Adamantan-1-yl)oxy]propyl}imino)-2-aminoethyl] hydrogen sulfurothioate
| Molecular Formula | C15H26N2O4S2 |
|---|---|
| Molecular Weight | 362.13 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 362.1334 |
| Heavy Atoms | 23 |
| Complexity | 515.0 |
Chemical Identifiers
| CAS Number | 30771-85-8 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)OCCCN=C(CSS(=O)(=O)O)N |
| InChIKey | PDJVXXPVGQISQR-UHFFFAOYSA-N |
Product Overview
Methanethiol, N-(3-(1-adamantyloxy)propyl)amidino-, hydrogen thiosulfate (ester) (CAS 30771-85-8), with molecular formula C15H26N2O4S2 and molecular weight 362.13 g/mol. IUPAC: 1-[3-[(1-amino-2-sulfosulfanylethylidene)amino]propoxy]adamantane.
Chemical Property Profile of Methanethiol, N-(3-(1-adamantyloxy)propyl)amidino-, hydrogen thiosulfate (ester)
Property Insights of Methanethiol, N-(3-(1-adamantyloxy)propyl)amidino-, hydrogen thiosulfate (ester)
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methanethiol, N-(3-(1-adamantyloxy)propyl)amidino-, hydrogen thiosulfate (ester). The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methanethiol, N-(3-(1-adamantyloxy)propyl)amidino-, hydrogen thiosulfate (ester). Following Lipinski's Rule of Five, Methanethiol, N-(3-(1-adamantyloxy)propyl)amidino-, hydrogen thiosulfate (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-(1-adamantyloxy)propyl)amidino-, hydrogen thiosulfate (ester)?
The CAS number of Methanethiol, N-(3-(1-adamantyloxy)propyl)amidino-, hydrogen thiosulfate (ester) is 30771-85-8.
What is the molecular formula of Methanethiol, N-(3-(1-adamantyloxy)propyl)amidino-, hydrogen thiosulfate (ester)?
The molecular formula of Methanethiol, N-(3-(1-adamantyloxy)propyl)amidino-, hydrogen thiosulfate (ester) is C15H26N2O4S2.
What is the molecular weight of Methanethiol, N-(3-(1-adamantyloxy)propyl)amidino-, hydrogen thiosulfate (ester)?
The molecular weight of Methanethiol, N-(3-(1-adamantyloxy)propyl)amidino-, hydrogen thiosulfate (ester) is 362.13 g/mol.
Where can I buy Methanethiol, N-(3-(1-adamantyloxy)propyl)amidino-, hydrogen thiosulfate (ester)?
You can request a quote for Methanethiol, N-(3-(1-adamantyloxy)propyl)amidino-, hydrogen thiosulfate (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-(1-adamantyloxy)propyl)amidino-, hydrogen thiosulfate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Methanethiol, N-(3-(1-adamantyloxy)propyl)amidino-, hydrogen thiosulfate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.