1-Butyl-3-(4-methylphenyl)thiourea
TL;DR: 1-Butyl-3-(4-methylphenyl)thiourea (CAS 1138-86-9) is a chemical compound with molecular formula C12H18N2S and molecular weight 222.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-3-(4-methylphenyl)thiourea
Also Known As: 1-butyl-3-(4-methylphenyl)thiourea, N-butyl-N'-(4-methylphenyl)thiourea, AB00107184-01, AB01328544-02, AE-641/00412033
| Molecular Formula | C12H18N2S |
|---|---|
| Molecular Weight | 222.12 g/mol |
| LogP | 3.08152 |
| Topological Polar Surface Area | 24.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 222.11906 |
| Heavy Atoms | 15 |
| Complexity | 305.90308 |
Chemical Identifiers
| CAS Number | 1138-86-9 |
|---|---|
| SMILES | CCCCNC(=S)NC1=CC=C(C=C1)C |
Product Overview
1-Butyl-3-(4-methylphenyl)thiourea (CAS 1138-86-9), with molecular formula C12H18N2S and molecular weight 222.12 g/mol. IUPAC: 1-butyl-3-(4-methylphenyl)thiourea.
Chemical Property Profile of 1-Butyl-3-(4-methylphenyl)thiourea
Property Insights of 1-Butyl-3-(4-methylphenyl)thiourea
The XLogP value of 3.08152 indicates that 1-Butyl-3-(4-methylphenyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.06 Ų, 1-Butyl-3-(4-methylphenyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butyl-3-(4-methylphenyl)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 1-Butyl-3-(4-methylphenyl)thiourea?
The CAS number of 1-Butyl-3-(4-methylphenyl)thiourea is 1138-86-9.
What is the molecular formula of 1-Butyl-3-(4-methylphenyl)thiourea?
The molecular formula of 1-Butyl-3-(4-methylphenyl)thiourea is C12H18N2S.
What is the molecular weight of 1-Butyl-3-(4-methylphenyl)thiourea?
The molecular weight of 1-Butyl-3-(4-methylphenyl)thiourea is 222.12 g/mol.
Where can I buy 1-Butyl-3-(4-methylphenyl)thiourea?
You can request a quote for 1-Butyl-3-(4-methylphenyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butyl-3-(4-methylphenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-Butyl-3-(4-methylphenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.