Dodecyldithio-5-(2-nitrobenzoic acid)
TL;DR: Dodecyldithio-5-(2-nitrobenzoic acid) (CAS 114020-02-9) is a chemical compound with molecular formula C19H29NO4S2 and molecular weight 399.1538 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(dodecyldisulfanyl)-2-nitrobenzoic acid
Also Known As: C12-Tnb, triethyl phosphate,hydrate, 5-(Dodecyldithio)-2-nitrobenzoic acid, Dodecyldithio-5-(2-nitrobenzoic acid), 5-(dodecyldisulfanyl)-2-nitrobenzoic acid
Technical Specifications
| Molecular Formula | C19H29NO4S2 |
| Molecular Weight | 399.1538 g/mol |
| XLogP | 7.6 |
| Topological Polar Surface Area (TPSA) | 134.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 14 |
| Exact Mass | 399.1538 Da |
| Heavy Atoms | 26 |
| Complexity | 403.0 |
| SMILES | CCCCCCCCCCCCSSC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O |
| InChIKey | LNGWGYPBWOQGGM-UHFFFAOYSA-N |
Chemical Property Profile of Dodecyldithio-5-(2-nitrobenzoic acid)
Property Insights of Dodecyldithio-5-(2-nitrobenzoic acid)
The XLogP value of 7.6 indicates that Dodecyldithio-5-(2-nitrobenzoic acid) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dodecyldithio-5-(2-nitrobenzoic acid). Following Lipinski's Rule of Five, Dodecyldithio-5-(2-nitrobenzoic acid) has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Dodecyldithio-5-(2-nitrobenzoic acid)?
The CAS number of Dodecyldithio-5-(2-nitrobenzoic acid) is 114020-02-9.
What is the molecular formula of Dodecyldithio-5-(2-nitrobenzoic acid)?
The molecular formula of Dodecyldithio-5-(2-nitrobenzoic acid) is C19H29NO4S2.
What is the molecular weight of Dodecyldithio-5-(2-nitrobenzoic acid)?
The molecular weight of Dodecyldithio-5-(2-nitrobenzoic acid) is 399.1538 g/mol.
Where can I buy Dodecyldithio-5-(2-nitrobenzoic acid)?
You can request a quote for Dodecyldithio-5-(2-nitrobenzoic acid) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dodecyldithio-5-(2-nitrobenzoic acid)?
Yes, CoreyChem provides custom synthesis services for Dodecyldithio-5-(2-nitrobenzoic acid) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.