Thiocyanic acid, ester with 3,4(or 4')-dichloro-4'-(or 4)-mercaptocarbanilide
TL;DR: Thiocyanic acid, ester with 3,4(or 4')-dichloro-4'-(or 4)-mercaptocarbanilide (CAS 36898-42-7) is a chemical compound with molecular formula C14H9Cl2N3OS and molecular weight 336.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(3,4-dichlorophenyl)carbamoylamino]phenyl] thiocyanate
Also Known As: Produit F22, Produit F22 [French], 3,4'-Dichloro-4'-thiocyanatocarbanilide, 2-[carboxy(ethylamino)amino]acetic acid, UPCMLD0ENAT5246764:001
| Molecular Formula | C14H9Cl2N3OS |
|---|---|
| Molecular Weight | 336.98 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 90.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 336.98434 |
| Heavy Atoms | 21 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 36898-42-7 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)NC2=CC(=C(C=C2)Cl)Cl)SC#N |
| InChIKey | KHRMERYAUUFNPF-UHFFFAOYSA-N |
Product Overview
Thiocyanic acid, ester with 3,4(or 4')-dichloro-4'-(or 4)-mercaptocarbanilide (CAS 36898-42-7), with molecular formula C14H9Cl2N3OS and molecular weight 336.98 g/mol. IUPAC: [4-[(3,4-dichlorophenyl)carbamoylamino]phenyl] thiocyanate.
Chemical Property Profile of Thiocyanic acid, ester with 3,4(or 4')-dichloro-4'-(or 4)-mercaptocarbanilide
Property Insights of Thiocyanic acid, ester with 3,4(or 4')-dichloro-4'-(or 4)-mercaptocarbanilide
The XLogP value of 5.3 indicates that Thiocyanic acid, ester with 3,4(or 4')-dichloro-4'-(or 4)-mercaptocarbanilide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiocyanic acid, ester with 3,4(or 4')-dichloro-4'-(or 4)-mercaptocarbanilide. Following Lipinski's Rule of Five, Thiocyanic acid, ester with 3,4(or 4')-dichloro-4'-(or 4)-mercaptocarbanilide has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Thiocyanic acid, ester with 3,4(or 4')-dichloro-4'-(or 4)-mercaptocarbanilide?
The CAS number of Thiocyanic acid, ester with 3,4(or 4')-dichloro-4'-(or 4)-mercaptocarbanilide is 36898-42-7.
What is the molecular formula of Thiocyanic acid, ester with 3,4(or 4')-dichloro-4'-(or 4)-mercaptocarbanilide?
The molecular formula of Thiocyanic acid, ester with 3,4(or 4')-dichloro-4'-(or 4)-mercaptocarbanilide is C14H9Cl2N3OS.
What is the molecular weight of Thiocyanic acid, ester with 3,4(or 4')-dichloro-4'-(or 4)-mercaptocarbanilide?
The molecular weight of Thiocyanic acid, ester with 3,4(or 4')-dichloro-4'-(or 4)-mercaptocarbanilide is 336.98 g/mol.
Where can I buy Thiocyanic acid, ester with 3,4(or 4')-dichloro-4'-(or 4)-mercaptocarbanilide?
You can request a quote for Thiocyanic acid, ester with 3,4(or 4')-dichloro-4'-(or 4)-mercaptocarbanilide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiocyanic acid, ester with 3,4(or 4')-dichloro-4'-(or 4)-mercaptocarbanilide?
Yes, KEHONG BIO provides custom synthesis services for Thiocyanic acid, ester with 3,4(or 4')-dichloro-4'-(or 4)-mercaptocarbanilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.