N-(tert-Butyl)thiourea
TL;DR: N-(tert-Butyl)thiourea (CAS 72595-99-4) is a chemical compound with molecular formula C5H12N2S and molecular weight 132.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butylthiourea
Also Known As: tert-butylthiourea, 1-tert-Butyl-2-thiourea, 1-(tert-Butyl)thiourea, N-(tert-butyl)thiourea, t-butylthiourea
| Molecular Formula | C5H12N2S |
|---|---|
| Molecular Weight | 132.07 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 70.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 132.07211 |
| Heavy Atoms | 8 |
| Complexity | 93.0 |
Chemical Identifiers
| CAS Number | 72595-99-4 |
|---|---|
| SMILES | CC(C)(C)NC(=S)N |
| InChIKey | RYOCWONLFFPYMN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(tert-Butyl)thiourea (CAS 72595-99-4), with molecular formula C5H12N2S and molecular weight 132.07 g/mol. IUPAC: tert-butylthiourea.
Chemical Property Profile of N-(tert-Butyl)thiourea
Property Insights of N-(tert-Butyl)thiourea
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(tert-Butyl)thiourea. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(tert-Butyl)thiourea. Following Lipinski's Rule of Five, N-(tert-Butyl)thiourea 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 N-(tert-Butyl)thiourea?
The CAS number of N-(tert-Butyl)thiourea is 72595-99-4.
What is the molecular formula of N-(tert-Butyl)thiourea?
The molecular formula of N-(tert-Butyl)thiourea is C5H12N2S.
What is the molecular weight of N-(tert-Butyl)thiourea?
The molecular weight of N-(tert-Butyl)thiourea is 132.07 g/mol.
Where can I buy N-(tert-Butyl)thiourea?
You can request a quote for N-(tert-Butyl)thiourea 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)thiourea?
Yes, KEHONG BIO provides custom synthesis services for N-(tert-Butyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.