3-Amino-3-tert-butyl-1-(3-chlorophenyl)thiourea
TL;DR: 3-Amino-3-tert-butyl-1-(3-chlorophenyl)thiourea (CAS 721418-80-0) is a chemical compound with molecular formula C11H16ClN3S and molecular weight 257.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-1-tert-butyl-3-(3-chlorophenyl)thiourea
Also Known As: 3-amino-3-tert-butyl-1-(3-chlorophenyl)thiourea, 1-amino-1-tert-butyl-3-(3-chlorophenyl)thiourea, 1-tert-butyl-N-(3-chlorophenyl)hydrazinecarbothioamide
| Molecular Formula | C11H16ClN3S |
|---|---|
| Molecular Weight | 257.08 g/mol |
| LogP | 3.011 |
| Topological Polar Surface Area | 41.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 257.07535 |
| Heavy Atoms | 16 |
| Complexity | 387.06122 |
Chemical Identifiers
| CAS Number | 721418-80-0 |
|---|---|
| SMILES | CC(C)(C)N(C(=S)NC1=CC(=CC=C1)Cl)N |
Product Overview
3-Amino-3-tert-butyl-1-(3-chlorophenyl)thiourea (CAS 721418-80-0), with molecular formula C11H16ClN3S and molecular weight 257.08 g/mol. IUPAC: 1-amino-1-tert-butyl-3-(3-chlorophenyl)thiourea.
Chemical Property Profile of 3-Amino-3-tert-butyl-1-(3-chlorophenyl)thiourea
Property Insights of 3-Amino-3-tert-butyl-1-(3-chlorophenyl)thiourea
The XLogP value of 3.011 indicates that 3-Amino-3-tert-butyl-1-(3-chlorophenyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.29 Ų, 3-Amino-3-tert-butyl-1-(3-chlorophenyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Amino-3-tert-butyl-1-(3-chlorophenyl)thiourea has 2 hydrogen bond donor(s) and 2 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 3-Amino-3-tert-butyl-1-(3-chlorophenyl)thiourea?
The CAS number of 3-Amino-3-tert-butyl-1-(3-chlorophenyl)thiourea is 721418-80-0.
What is the molecular formula of 3-Amino-3-tert-butyl-1-(3-chlorophenyl)thiourea?
The molecular formula of 3-Amino-3-tert-butyl-1-(3-chlorophenyl)thiourea is C11H16ClN3S.
What is the molecular weight of 3-Amino-3-tert-butyl-1-(3-chlorophenyl)thiourea?
The molecular weight of 3-Amino-3-tert-butyl-1-(3-chlorophenyl)thiourea is 257.08 g/mol.
Where can I buy 3-Amino-3-tert-butyl-1-(3-chlorophenyl)thiourea?
You can request a quote for 3-Amino-3-tert-butyl-1-(3-chlorophenyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-3-tert-butyl-1-(3-chlorophenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-3-tert-butyl-1-(3-chlorophenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.