(1,4-Phenylene)bis(methylene) dicarbamimidothioate
TL;DR: (1,4-Phenylene)bis(methylene) dicarbamimidothioate (CAS 105164-40-7) is a chemical compound with molecular formula C10H14N4S2 and molecular weight 254.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(carbamimidoylsulfanylmethyl)phenyl]methyl carbamimidothioate
Also Known As: 2,2 -(1,4-Xylylene)bis(isothiourea), benzene-1,4-diyldimethanediyldicarbamimidothioate, (1,4-phenylene)bis(methylene) dicarbamimidothioate, J1.468.374G, AE-848/32307007
| Molecular Formula | C10H14N4S2 |
|---|---|
| Molecular Weight | 254.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 254.066 |
| Heavy Atoms | 16 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 105164-40-7 |
|---|---|
| SMILES | C1=CC(=CC=C1CSC(=N)N)CSC(=N)N |
| InChIKey | PWMGHDCLHPWGBX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(1,4-Phenylene)bis(methylene) dicarbamimidothioate (CAS 105164-40-7), with molecular formula C10H14N4S2 and molecular weight 254.07 g/mol. IUPAC: [4-(carbamimidoylsulfanylmethyl)phenyl]methyl carbamimidothioate.
Chemical Property Profile of (1,4-Phenylene)bis(methylene) dicarbamimidothioate
Property Insights of (1,4-Phenylene)bis(methylene) dicarbamimidothioate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1,4-Phenylene)bis(methylene) dicarbamimidothioate. The TPSA of 150.0 Ų indicates high polarity, suggesting (1,4-Phenylene)bis(methylene) dicarbamimidothioate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (1,4-Phenylene)bis(methylene) dicarbamimidothioate has 4 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 (1,4-Phenylene)bis(methylene) dicarbamimidothioate?
The CAS number of (1,4-Phenylene)bis(methylene) dicarbamimidothioate is 105164-40-7.
What is the molecular formula of (1,4-Phenylene)bis(methylene) dicarbamimidothioate?
The molecular formula of (1,4-Phenylene)bis(methylene) dicarbamimidothioate is C10H14N4S2.
What is the molecular weight of (1,4-Phenylene)bis(methylene) dicarbamimidothioate?
The molecular weight of (1,4-Phenylene)bis(methylene) dicarbamimidothioate is 254.07 g/mol.
Where can I buy (1,4-Phenylene)bis(methylene) dicarbamimidothioate?
You can request a quote for (1,4-Phenylene)bis(methylene) dicarbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1,4-Phenylene)bis(methylene) dicarbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for (1,4-Phenylene)bis(methylene) dicarbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.