3-(4-Carboxamidophenyldithio)propionthioimidate
TL;DR: 3-(4-Carboxamidophenyldithio)propionthioimidate (CAS 149997-66-0) is a chemical compound with molecular formula C12H17ClN2OS3 and molecular weight 336.01917 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 3-[(4-carbamoylphenyl)disulfanyl]propanimidothioate;hydrochloride
Also Known As: 3-Cdpt, 3-(4-Carboxamidophenyldithio)propionthioimidate, Ethyl 3-((4-(aminocarbonyl)phenyl)dithio)propanimidothioate monohydrochloride, ethyl 3-[(4-carbamoylphenyl)disulfanyl]propanimidothioate hydrochloride, ethyl 3-[(4-carbamoylphenyl)disulfanyl]propanimidothioate,hydrochloride
Technical Specifications
| Molecular Formula | C12H17ClN2OS3 |
| Molecular Weight | 336.01917 g/mol |
| XLogP | 4.06807 |
| Topological Polar Surface Area (TPSA) | 143.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 336.01917 Da |
| Heavy Atoms | 19 |
| Complexity | 278.0 |
| SMILES | CCSC(=N)CCSSC1=CC=C(C=C1)C(=O)N.Cl |
| InChIKey | DLDBPSIPZKTQJE-UHFFFAOYSA-N |
Chemical Property Profile of 3-(4-Carboxamidophenyldithio)propionthioimidate
Property Insights of 3-(4-Carboxamidophenyldithio)propionthioimidate
The XLogP value of 4.06807 indicates that 3-(4-Carboxamidophenyldithio)propionthioimidate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 143.0 Ų indicates high polarity, suggesting 3-(4-Carboxamidophenyldithio)propionthioimidate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-(4-Carboxamidophenyldithio)propionthioimidate has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(4-Carboxamidophenyldithio)propionthioimidate?
The CAS number of 3-(4-Carboxamidophenyldithio)propionthioimidate is 149997-66-0.
What is the molecular formula of 3-(4-Carboxamidophenyldithio)propionthioimidate?
The molecular formula of 3-(4-Carboxamidophenyldithio)propionthioimidate is C12H17ClN2OS3.
What is the molecular weight of 3-(4-Carboxamidophenyldithio)propionthioimidate?
The molecular weight of 3-(4-Carboxamidophenyldithio)propionthioimidate is 336.01917 g/mol.
Where can I buy 3-(4-Carboxamidophenyldithio)propionthioimidate?
You can request a quote for 3-(4-Carboxamidophenyldithio)propionthioimidate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(4-Carboxamidophenyldithio)propionthioimidate?
Yes, CoreyChem provides custom synthesis services for 3-(4-Carboxamidophenyldithio)propionthioimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.