Benzenecarbothioic acid, 4-((aminoiminomethyl)amino)-, S-(2,5-dichlorophenyl) ester, monomethanesulfonate
TL;DR: Benzenecarbothioic acid, 4-((aminoiminomethyl)amino)-, S-(2,5-dichlorophenyl) ester, monomethanesulfonate (CAS 111910-49-7) is a chemical compound with molecular formula C15H15Cl2N3O4S2 and molecular weight 434.9881 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
S-(2,5-dichlorophenyl) 4-(diaminomethylideneamino)benzenecarbothioate;methanesulfonic acid
Also Known As: Benzenecarbothioic acid, 4-((aminoiminomethyl)amino)-, S-(2,5-dichlorophenyl) ester, monomethanesulfonate, 2-[4-(2,5-dichlorophenyl)sulfanylcarbonylphenyl]guanidine; Methanesulfonic Acid, S-(2,5-dichlorophenyl) 4-(diaminomethylideneamino)benzenecarbothioate; methanesulfonic acid, Methanesulfonic acid--S-(2,5-dichlorophenyl) 4-[(diaminomethylidene)amino]benzene-1-carbothioate (1/1)
Technical Specifications
| Molecular Formula | C15H15Cl2N3O4S2 |
| Molecular Weight | 434.9881 g/mol |
| XLogP | 3.3348 |
| Topological Polar Surface Area (TPSA) | 170.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 434.9881 Da |
| Heavy Atoms | 26 |
| Complexity | 488.0 |
| SMILES | CS(=O)(=O)O.C1=CC(=CC=C1C(=O)SC2=C(C=CC(=C2)Cl)Cl)N=C(N)N |
| InChIKey | OHMQCEFVLOVHDJ-UHFFFAOYSA-N |
Chemical Property Profile of Benzenecarbothioic acid, 4-((aminoiminomethyl)amino)-, S-(2,5-dichlorophenyl) ester, monomethanesulfonate
Property Insights of Benzenecarbothioic acid, 4-((aminoiminomethyl)amino)-, S-(2,5-dichlorophenyl) ester, monomethanesulfonate
The XLogP value of 3.3348 indicates that Benzenecarbothioic acid, 4-((aminoiminomethyl)amino)-, S-(2,5-dichlorophenyl) ester, monomethanesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 170.0 Ų indicates high polarity, suggesting Benzenecarbothioic acid, 4-((aminoiminomethyl)amino)-, S-(2,5-dichlorophenyl) ester, monomethanesulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzenecarbothioic acid, 4-((aminoiminomethyl)amino)-, S-(2,5-dichlorophenyl) ester, monomethanesulfonate has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzenecarbothioic acid, 4-((aminoiminomethyl)amino)-, S-(2,5-dichlorophenyl) ester, monomethanesulfonate?
The CAS number of Benzenecarbothioic acid, 4-((aminoiminomethyl)amino)-, S-(2,5-dichlorophenyl) ester, monomethanesulfonate is 111910-49-7.
What is the molecular formula of Benzenecarbothioic acid, 4-((aminoiminomethyl)amino)-, S-(2,5-dichlorophenyl) ester, monomethanesulfonate?
The molecular formula of Benzenecarbothioic acid, 4-((aminoiminomethyl)amino)-, S-(2,5-dichlorophenyl) ester, monomethanesulfonate is C15H15Cl2N3O4S2.
What is the molecular weight of Benzenecarbothioic acid, 4-((aminoiminomethyl)amino)-, S-(2,5-dichlorophenyl) ester, monomethanesulfonate?
The molecular weight of Benzenecarbothioic acid, 4-((aminoiminomethyl)amino)-, S-(2,5-dichlorophenyl) ester, monomethanesulfonate is 434.9881 g/mol.
Where can I buy Benzenecarbothioic acid, 4-((aminoiminomethyl)amino)-, S-(2,5-dichlorophenyl) ester, monomethanesulfonate?
You can request a quote for Benzenecarbothioic acid, 4-((aminoiminomethyl)amino)-, S-(2,5-dichlorophenyl) ester, monomethanesulfonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzenecarbothioic acid, 4-((aminoiminomethyl)amino)-, S-(2,5-dichlorophenyl) ester, monomethanesulfonate?
Yes, CoreyChem provides custom synthesis services for Benzenecarbothioic acid, 4-((aminoiminomethyl)amino)-, S-(2,5-dichlorophenyl) ester, monomethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.