N-(tert-Butyl)-2-(2,4-dihydroxybenzylidene)hydrazine-1-carbothioamide
TL;DR: N-(tert-Butyl)-2-(2,4-dihydroxybenzylidene)hydrazine-1-carbothioamide (CAS 218795-74-5) is a chemical compound with molecular formula C12H17N3O2S and molecular weight 267.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-3-[(2,4-dihydroxyphenyl)methylideneamino]thiourea
Also Known As: IMM 01, N-(tert-Butyl)-2-(2,4-dihydroxybenzylidene)hydrazine-1-carbothioamide
| Molecular Formula | C12H17N3O2S |
|---|---|
| Molecular Weight | 267.10 g/mol |
| LogP | 1.6943 |
| Topological Polar Surface Area | 76.88 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 267.10416 |
| Heavy Atoms | 18 |
| Complexity | 466.88058 |
Chemical Identifiers
| CAS Number | 218795-74-5 |
|---|---|
| SMILES | CC(C)(C)NC(=S)NN=CC1=C(C=C(C=C1)O)O |
Product Overview
N-(tert-Butyl)-2-(2,4-dihydroxybenzylidene)hydrazine-1-carbothioamide (CAS 218795-74-5), with molecular formula C12H17N3O2S and molecular weight 267.10 g/mol. IUPAC: 1-tert-butyl-3-[(2,4-dihydroxyphenyl)methylideneamino]thiourea.
Chemical Property Profile of N-(tert-Butyl)-2-(2,4-dihydroxybenzylidene)hydrazine-1-carbothioamide
Property Insights of N-(tert-Butyl)-2-(2,4-dihydroxybenzylidene)hydrazine-1-carbothioamide
The XLogP value of 1.6943 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(tert-Butyl)-2-(2,4-dihydroxybenzylidene)hydrazine-1-carbothioamide. The TPSA of 76.88 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(tert-Butyl)-2-(2,4-dihydroxybenzylidene)hydrazine-1-carbothioamide. Following Lipinski's Rule of Five, N-(tert-Butyl)-2-(2,4-dihydroxybenzylidene)hydrazine-1-carbothioamide has 4 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(tert-Butyl)-2-(2,4-dihydroxybenzylidene)hydrazine-1-carbothioamide?
The CAS number of N-(tert-Butyl)-2-(2,4-dihydroxybenzylidene)hydrazine-1-carbothioamide is 218795-74-5.
What is the molecular formula of N-(tert-Butyl)-2-(2,4-dihydroxybenzylidene)hydrazine-1-carbothioamide?
The molecular formula of N-(tert-Butyl)-2-(2,4-dihydroxybenzylidene)hydrazine-1-carbothioamide is C12H17N3O2S.
What is the molecular weight of N-(tert-Butyl)-2-(2,4-dihydroxybenzylidene)hydrazine-1-carbothioamide?
The molecular weight of N-(tert-Butyl)-2-(2,4-dihydroxybenzylidene)hydrazine-1-carbothioamide is 267.10 g/mol.
Where can I buy N-(tert-Butyl)-2-(2,4-dihydroxybenzylidene)hydrazine-1-carbothioamide?
You can request a quote for N-(tert-Butyl)-2-(2,4-dihydroxybenzylidene)hydrazine-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(tert-Butyl)-2-(2,4-dihydroxybenzylidene)hydrazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(tert-Butyl)-2-(2,4-dihydroxybenzylidene)hydrazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.