(Benzene-1,2,3,4,5,6-hexayl)hexakis(methylene) hexacarbamimidothioate
TL;DR: (Benzene-1,2,3,4,5,6-hexayl)hexakis(methylene) hexacarbamimidothioate (CAS 64039-41-4) is a chemical compound with molecular formula C18H30N12S6 and molecular weight 606.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,3,4,5,6-pentakis(carbamimidoylsulfanylmethyl)phenyl]methyl carbamimidothioate
Also Known As: Hexaisothiourea methylbenzene, Hexakis-guanylmercaptomethyl-benzol, Pseudourea, phenylhexamethylhexa(2'-thio-, 3-06-00-06945 (Beilstein Handbook Reference), hexakis-(carbamimidoylmercapto-methyl)-benzene
| Molecular Formula | C18H30N12S6 |
|---|---|
| Molecular Weight | 606.10 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 451.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 18 |
| Exact Mass | 606.10406 |
| Heavy Atoms | 36 |
| Complexity | 644.0 |
Chemical Identifiers
| CAS Number | 64039-41-4 |
|---|---|
| SMILES | C(C1=C(C(=C(C(=C1CSC(=N)N)CSC(=N)N)CSC(=N)N)CSC(=N)N)CSC(=N)N)SC(=N)N |
| InChIKey | RBTMPXCELKWOBK-UHFFFAOYSA-N |
Product Overview
(Benzene-1,2,3,4,5,6-hexayl)hexakis(methylene) hexacarbamimidothioate (CAS 64039-41-4), with molecular formula C18H30N12S6 and molecular weight 606.10 g/mol. IUPAC: [2,3,4,5,6-pentakis(carbamimidoylsulfanylmethyl)phenyl]methyl carbamimidothioate.
Chemical Property Profile of (Benzene-1,2,3,4,5,6-hexayl)hexakis(methylene) hexacarbamimidothioate
Property Insights of (Benzene-1,2,3,4,5,6-hexayl)hexakis(methylene) hexacarbamimidothioate
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Benzene-1,2,3,4,5,6-hexayl)hexakis(methylene) hexacarbamimidothioate. The TPSA of 451.0 Ų indicates high polarity, suggesting (Benzene-1,2,3,4,5,6-hexayl)hexakis(methylene) hexacarbamimidothioate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (Benzene-1,2,3,4,5,6-hexayl)hexakis(methylene) hexacarbamimidothioate has 12 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Benzene-1,2,3,4,5,6-hexayl)hexakis(methylene) hexacarbamimidothioate?
The CAS number of (Benzene-1,2,3,4,5,6-hexayl)hexakis(methylene) hexacarbamimidothioate is 64039-41-4.
What is the molecular formula of (Benzene-1,2,3,4,5,6-hexayl)hexakis(methylene) hexacarbamimidothioate?
The molecular formula of (Benzene-1,2,3,4,5,6-hexayl)hexakis(methylene) hexacarbamimidothioate is C18H30N12S6.
What is the molecular weight of (Benzene-1,2,3,4,5,6-hexayl)hexakis(methylene) hexacarbamimidothioate?
The molecular weight of (Benzene-1,2,3,4,5,6-hexayl)hexakis(methylene) hexacarbamimidothioate is 606.10 g/mol.
Where can I buy (Benzene-1,2,3,4,5,6-hexayl)hexakis(methylene) hexacarbamimidothioate?
You can request a quote for (Benzene-1,2,3,4,5,6-hexayl)hexakis(methylene) hexacarbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Benzene-1,2,3,4,5,6-hexayl)hexakis(methylene) hexacarbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for (Benzene-1,2,3,4,5,6-hexayl)hexakis(methylene) hexacarbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.