1-Anilino-3-butylthiourea
TL;DR: 1-Anilino-3-butylthiourea (CAS 657408-29-2) is a chemical compound with molecular formula C11H17N3S and molecular weight 223.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-anilino-3-butylthiourea
Also Known As: 1-anilino-3-butylthiourea, N-butyl-2-phenylhydrazinecarbothioamide
| Molecular Formula | C11H17N3S |
|---|---|
| Molecular Weight | 223.11 g/mol |
| LogP | 2.2777 |
| Topological Polar Surface Area | 36.09 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 223.11432 |
| Heavy Atoms | 15 |
| Complexity | 287.14432 |
Chemical Identifiers
| CAS Number | 657408-29-2 |
|---|---|
| SMILES | CCCCNC(=S)NNC1=CC=CC=C1 |
Product Overview
1-Anilino-3-butylthiourea (CAS 657408-29-2), with molecular formula C11H17N3S and molecular weight 223.11 g/mol. IUPAC: 1-anilino-3-butylthiourea.
Chemical Property Profile of 1-Anilino-3-butylthiourea
Property Insights of 1-Anilino-3-butylthiourea
The XLogP value of 2.2777 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Anilino-3-butylthiourea. With a topological polar surface area (TPSA) of 36.09 Ų, 1-Anilino-3-butylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Anilino-3-butylthiourea has 3 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 1-Anilino-3-butylthiourea?
The CAS number of 1-Anilino-3-butylthiourea is 657408-29-2.
What is the molecular formula of 1-Anilino-3-butylthiourea?
The molecular formula of 1-Anilino-3-butylthiourea is C11H17N3S.
What is the molecular weight of 1-Anilino-3-butylthiourea?
The molecular weight of 1-Anilino-3-butylthiourea is 223.11 g/mol.
Where can I buy 1-Anilino-3-butylthiourea?
You can request a quote for 1-Anilino-3-butylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Anilino-3-butylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-Anilino-3-butylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.