(Z)-N-Tert-butyl-N'-(2,5-dimethylphenyl)carbamimidothioic acid
TL;DR: (Z)-N-Tert-butyl-N'-(2,5-dimethylphenyl)carbamimidothioic acid (CAS 326013-95-0) is a chemical compound with molecular formula C13H20N2S and molecular weight 236.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-3-(2,5-dimethylphenyl)thiourea
Also Known As: 1-tert-butyl-3-(2,5-dimethylphenyl)thiourea, (Z)-N-TERT-BUTYL-N'-(2,5-DIMETHYLPHENYL)CARBAMIMIDOTHIOIC ACID, N-(tert-butyl)-N'-(2,5-dimethylphenyl)thiourea, AF-399/15335009, F0807-0393
| Molecular Formula | C13H20N2S |
|---|---|
| Molecular Weight | 236.13 g/mol |
| LogP | 3.38834 |
| Topological Polar Surface Area | 24.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 236.13472 |
| Heavy Atoms | 16 |
| Complexity | 391.40933 |
Chemical Identifiers
| CAS Number | 326013-95-0 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)NC(=S)NC(C)(C)C |
Product Overview
(Z)-N-Tert-butyl-N'-(2,5-dimethylphenyl)carbamimidothioic acid (CAS 326013-95-0), with molecular formula C13H20N2S and molecular weight 236.13 g/mol. IUPAC: 1-tert-butyl-3-(2,5-dimethylphenyl)thiourea.
Chemical Property Profile of (Z)-N-Tert-butyl-N'-(2,5-dimethylphenyl)carbamimidothioic acid
Property Insights of (Z)-N-Tert-butyl-N'-(2,5-dimethylphenyl)carbamimidothioic acid
The XLogP value of 3.38834 indicates that (Z)-N-Tert-butyl-N'-(2,5-dimethylphenyl)carbamimidothioic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.06 Ų, (Z)-N-Tert-butyl-N'-(2,5-dimethylphenyl)carbamimidothioic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-N-Tert-butyl-N'-(2,5-dimethylphenyl)carbamimidothioic acid has 2 hydrogen bond donor(s) and 1 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 (Z)-N-Tert-butyl-N'-(2,5-dimethylphenyl)carbamimidothioic acid?
The CAS number of (Z)-N-Tert-butyl-N'-(2,5-dimethylphenyl)carbamimidothioic acid is 326013-95-0.
What is the molecular formula of (Z)-N-Tert-butyl-N'-(2,5-dimethylphenyl)carbamimidothioic acid?
The molecular formula of (Z)-N-Tert-butyl-N'-(2,5-dimethylphenyl)carbamimidothioic acid is C13H20N2S.
What is the molecular weight of (Z)-N-Tert-butyl-N'-(2,5-dimethylphenyl)carbamimidothioic acid?
The molecular weight of (Z)-N-Tert-butyl-N'-(2,5-dimethylphenyl)carbamimidothioic acid is 236.13 g/mol.
Where can I buy (Z)-N-Tert-butyl-N'-(2,5-dimethylphenyl)carbamimidothioic acid?
You can request a quote for (Z)-N-Tert-butyl-N'-(2,5-dimethylphenyl)carbamimidothioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-N-Tert-butyl-N'-(2,5-dimethylphenyl)carbamimidothioic acid?
Yes, KEHONG BIO provides custom synthesis services for (Z)-N-Tert-butyl-N'-(2,5-dimethylphenyl)carbamimidothioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.