2-(Dichloroamino)-1-phenylethyl carbamimidothioate--hydrogen chloride (1/2)
TL;DR: 2-(Dichloroamino)-1-phenylethyl carbamimidothioate--hydrogen chloride (1/2) (CAS 1081-29-4) is a chemical compound with molecular formula C9H13Cl4N3S and molecular weight 334.95844 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-(dichloroamino)-1-phenylethyl] carbamimidothioate;dihydrochloride
Also Known As: 2-(dichloroamino)-1-phenylethyl carbamimidothioate dihydrochloride, Carbamimidothioic acid, 2-(dimethylamino)-1-phenylethyl ester, dihydrochloride, 2-(Dichloroamino)-1-phenylethyl carbamimidothioate--hydrogen chloride (1/2), [2-(dichloroamino)-1-phenylethyl] carbamimidothioate dihydrochloride
Technical Specifications
| Molecular Formula | C9H13Cl4N3S |
| Molecular Weight | 334.95844 g/mol |
| XLogP | 3.81 |
| Topological Polar Surface Area (TPSA) | 78.4 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 336.95547 Da |
| Heavy Atoms | 17 |
| Complexity | 208.0 |
| SMILES | C1=CC=C(C=C1)C(CN(Cl)Cl)SC(=N)N.Cl.Cl |
| InChIKey | FBSNRMUCMJMPLE-UHFFFAOYSA-N |
Chemical Property Profile of 2-(Dichloroamino)-1-phenylethyl carbamimidothioate--hydrogen chloride (1/2)
Property Insights of 2-(Dichloroamino)-1-phenylethyl carbamimidothioate--hydrogen chloride (1/2)
The XLogP value of 3.81 indicates that 2-(Dichloroamino)-1-phenylethyl carbamimidothioate--hydrogen chloride (1/2) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Dichloroamino)-1-phenylethyl carbamimidothioate--hydrogen chloride (1/2). Following Lipinski's Rule of Five, 2-(Dichloroamino)-1-phenylethyl carbamimidothioate--hydrogen chloride (1/2) has 4 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(Dichloroamino)-1-phenylethyl carbamimidothioate--hydrogen chloride (1/2)?
The CAS number of 2-(Dichloroamino)-1-phenylethyl carbamimidothioate--hydrogen chloride (1/2) is 1081-29-4.
What is the molecular formula of 2-(Dichloroamino)-1-phenylethyl carbamimidothioate--hydrogen chloride (1/2)?
The molecular formula of 2-(Dichloroamino)-1-phenylethyl carbamimidothioate--hydrogen chloride (1/2) is C9H13Cl4N3S.
What is the molecular weight of 2-(Dichloroamino)-1-phenylethyl carbamimidothioate--hydrogen chloride (1/2)?
The molecular weight of 2-(Dichloroamino)-1-phenylethyl carbamimidothioate--hydrogen chloride (1/2) is 334.95844 g/mol.
Where can I buy 2-(Dichloroamino)-1-phenylethyl carbamimidothioate--hydrogen chloride (1/2)?
You can request a quote for 2-(Dichloroamino)-1-phenylethyl carbamimidothioate--hydrogen chloride (1/2) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(Dichloroamino)-1-phenylethyl carbamimidothioate--hydrogen chloride (1/2)?
Yes, CoreyChem provides custom synthesis services for 2-(Dichloroamino)-1-phenylethyl carbamimidothioate--hydrogen chloride (1/2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.