(2,4-Dichlorophenyl)methyl carbamimidothioate;3,4,6-trichloro-2-nitrophenol
TL;DR: (2,4-Dichlorophenyl)methyl carbamimidothioate;3,4,6-trichloro-2-nitrophenol (CAS 1393817-07-6) is a chemical compound with molecular formula C14H10Cl5N3O3S and molecular weight 474.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4-dichlorophenyl)methyl carbamimidothioate;3,4,6-trichloro-2-nitrophenol
Also Known As: NCI60_003180, (2,4-dichlorophenyl)methyl carbamimidothioate;3,4,6-trichloro-2-nitrophenol, 2,4-dichlorobenzyl carbamimidothioate- 3,4,6-trichloro-2-nitrophenol(1:1), (2,4-dichlorophenyl)methyl carbamimidothioate; 3,4,6-trichloro-2-nitrophenol, 2,4-dichlorobenzyl imidothiocarbamate compound with 3,4,6-trichloro-2-(hydroxy(oxido)amino)phenol (1:1)
| Molecular Formula | C14H10Cl5N3O3S |
|---|---|
| Molecular Weight | 474.89 g/mol |
| LogP | 6.38067 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 474.88855 |
| Heavy Atoms | 26 |
| Complexity | 399.0 |
Chemical Identifiers
| CAS Number | 1393817-07-6 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)Cl)CSC(=N)N.C1=C(C(=C(C(=C1Cl)Cl)[N+](=O)[O-])O)Cl |
| InChIKey | VYAQZAAUDLMLEH-UHFFFAOYSA-N |
Product Overview
(2,4-Dichlorophenyl)methyl carbamimidothioate;3,4,6-trichloro-2-nitrophenol (CAS 1393817-07-6), with molecular formula C14H10Cl5N3O3S and molecular weight 474.89 g/mol. IUPAC: (2,4-dichlorophenyl)methyl carbamimidothioate;3,4,6-trichloro-2-nitrophenol.
Chemical Property Profile of (2,4-Dichlorophenyl)methyl carbamimidothioate;3,4,6-trichloro-2-nitrophenol
Property Insights of (2,4-Dichlorophenyl)methyl carbamimidothioate;3,4,6-trichloro-2-nitrophenol
The XLogP value of 6.38067 indicates that (2,4-Dichlorophenyl)methyl carbamimidothioate;3,4,6-trichloro-2-nitrophenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.0 Ų indicates high polarity, suggesting (2,4-Dichlorophenyl)methyl carbamimidothioate;3,4,6-trichloro-2-nitrophenol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (2,4-Dichlorophenyl)methyl carbamimidothioate;3,4,6-trichloro-2-nitrophenol has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2,4-Dichlorophenyl)methyl carbamimidothioate;3,4,6-trichloro-2-nitrophenol?
The CAS number of (2,4-Dichlorophenyl)methyl carbamimidothioate;3,4,6-trichloro-2-nitrophenol is 1393817-07-6.
What is the molecular formula of (2,4-Dichlorophenyl)methyl carbamimidothioate;3,4,6-trichloro-2-nitrophenol?
The molecular formula of (2,4-Dichlorophenyl)methyl carbamimidothioate;3,4,6-trichloro-2-nitrophenol is C14H10Cl5N3O3S.
What is the molecular weight of (2,4-Dichlorophenyl)methyl carbamimidothioate;3,4,6-trichloro-2-nitrophenol?
The molecular weight of (2,4-Dichlorophenyl)methyl carbamimidothioate;3,4,6-trichloro-2-nitrophenol is 474.89 g/mol.
Where can I buy (2,4-Dichlorophenyl)methyl carbamimidothioate;3,4,6-trichloro-2-nitrophenol?
You can request a quote for (2,4-Dichlorophenyl)methyl carbamimidothioate;3,4,6-trichloro-2-nitrophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,4-Dichlorophenyl)methyl carbamimidothioate;3,4,6-trichloro-2-nitrophenol?
Yes, KEHONG BIO provides custom synthesis services for (2,4-Dichlorophenyl)methyl carbamimidothioate;3,4,6-trichloro-2-nitrophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.