(4-Butylphenyl)methylthiourea
TL;DR: (4-Butylphenyl)methylthiourea (CAS 832099-22-6) 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.
(4-butylphenyl)methylthiourea
Also Known As: (4-butylphenyl)methylthiourea, N-[(4-Butylphenyl)methyl]thiourea, Thiourea, [(4-butylphenyl)methyl]-, Thiourea, N-[(4-butylphenyl)methyl]-, 3-[Nitroso(benzyloxy)amino]-N-[(benzyloxy)carbonyl]-L-alanine
| Molecular Formula | C12H18N2S |
|---|---|
| Molecular Weight | 222.12 g/mol |
| LogP | 2.3624 |
| Topological Polar Surface Area | 38.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 222.11906 |
| Heavy Atoms | 15 |
| Complexity | 305.90308 |
Chemical Identifiers
| CAS Number | 832099-22-6 |
|---|---|
| SMILES | CCCCC1=CC=C(C=C1)CNC(=S)N |
Product Overview
(4-Butylphenyl)methylthiourea (CAS 832099-22-6), with molecular formula C12H18N2S and molecular weight 222.12 g/mol. IUPAC: (4-butylphenyl)methylthiourea.
Chemical Property Profile of (4-Butylphenyl)methylthiourea
Property Insights of (4-Butylphenyl)methylthiourea
The XLogP value of 2.3624 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Butylphenyl)methylthiourea. With a topological polar surface area (TPSA) of 38.05 Ų, (4-Butylphenyl)methylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Butylphenyl)methylthiourea 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 (4-Butylphenyl)methylthiourea?
The CAS number of (4-Butylphenyl)methylthiourea is 832099-22-6.
What is the molecular formula of (4-Butylphenyl)methylthiourea?
The molecular formula of (4-Butylphenyl)methylthiourea is C12H18N2S.
What is the molecular weight of (4-Butylphenyl)methylthiourea?
The molecular weight of (4-Butylphenyl)methylthiourea is 222.12 g/mol.
Where can I buy (4-Butylphenyl)methylthiourea?
You can request a quote for (4-Butylphenyl)methylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Butylphenyl)methylthiourea?
Yes, KEHONG BIO provides custom synthesis services for (4-Butylphenyl)methylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.