4-Dodecylbenzenesulfonic acid-benzyl carbamimidothioate(1:1)
TL;DR: 4-Dodecylbenzenesulfonic acid-benzyl carbamimidothioate(1:1) (CAS 3143-76-8) is a chemical compound with molecular formula C26H40N2O3S2 and molecular weight 492.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl carbamimidothioate;4-dodecylbenzenesulfonic acid
Also Known As: 4-dodecylbenzenesulfonic acid- benzyl carbamimidothioate(1:1), benzyl carbamimidothioate,4-dodecylbenzenesulfonic acid, benzylsulfanylmethanimidamide; 4-dodecylbenzenesulfonic acid, 4-Dodecyl-benzolsulfonsaeure,S-Benzyl-thiouronium-Salz, benzyl carbamimidothioate; 4-dodecylbenzenesulfonic acid
| Molecular Formula | C26H40N2O3S2 |
|---|---|
| Molecular Weight | 492.25 g/mol |
| LogP | 7.20997 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 15 |
| Exact Mass | 492.24805 |
| Heavy Atoms | 33 |
| Complexity | 481.0 |
Chemical Identifiers
| CAS Number | 3143-76-8 |
|---|---|
| SMILES | CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)CSC(=N)N |
| InChIKey | GPNMODHRIBAOHF-UHFFFAOYSA-N |
Product Overview
4-Dodecylbenzenesulfonic acid-benzyl carbamimidothioate(1:1) (CAS 3143-76-8), with molecular formula C26H40N2O3S2 and molecular weight 492.25 g/mol. IUPAC: benzyl carbamimidothioate;4-dodecylbenzenesulfonic acid.
Chemical Property Profile of 4-Dodecylbenzenesulfonic acid-benzyl carbamimidothioate(1:1)
Property Insights of 4-Dodecylbenzenesulfonic acid-benzyl carbamimidothioate(1:1)
The XLogP value of 7.20997 indicates that 4-Dodecylbenzenesulfonic acid-benzyl carbamimidothioate(1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Dodecylbenzenesulfonic acid-benzyl carbamimidothioate(1:1). Following Lipinski's Rule of Five, 4-Dodecylbenzenesulfonic acid-benzyl carbamimidothioate(1:1) 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 4-Dodecylbenzenesulfonic acid-benzyl carbamimidothioate(1:1)?
The CAS number of 4-Dodecylbenzenesulfonic acid-benzyl carbamimidothioate(1:1) is 3143-76-8.
What is the molecular formula of 4-Dodecylbenzenesulfonic acid-benzyl carbamimidothioate(1:1)?
The molecular formula of 4-Dodecylbenzenesulfonic acid-benzyl carbamimidothioate(1:1) is C26H40N2O3S2.
What is the molecular weight of 4-Dodecylbenzenesulfonic acid-benzyl carbamimidothioate(1:1)?
The molecular weight of 4-Dodecylbenzenesulfonic acid-benzyl carbamimidothioate(1:1) is 492.25 g/mol.
Where can I buy 4-Dodecylbenzenesulfonic acid-benzyl carbamimidothioate(1:1)?
You can request a quote for 4-Dodecylbenzenesulfonic acid-benzyl carbamimidothioate(1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Dodecylbenzenesulfonic acid-benzyl carbamimidothioate(1:1)?
Yes, KEHONG BIO provides custom synthesis services for 4-Dodecylbenzenesulfonic acid-benzyl carbamimidothioate(1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.