![1-Butyl-3-[[oxo-(5-propan-2-yl-3-thiophenyl)methyl]amino]thiourea structure](/static/products/4382/438231-00-6.webp)
1-Butyl-3-[[oxo-(5-propan-2-yl-3-thiophenyl)methyl]amino]thiourea
TL;DR: 1-Butyl-3-[[oxo-(5-propan-2-yl-3-thiophenyl)methyl]amino]thiourea (CAS 438231-00-6) is a chemical compound with molecular formula C13H21N3OS2 and molecular weight 299.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-3-[(5-propan-2-ylthiophene-3-carbonyl)amino]thiourea
Also Known As: 1-butyl-3-[(5-propan-2-ylthiophene-3-carbonyl)amino]thiourea, 1-butyl-3-[[oxo-(5-propan-2-yl-3-thiophenyl)methyl]amino]thiourea, N-butyl-2-[(5-isopropyl-3-thienyl)carbonyl]hydrazinecarbothioamide, N-{[(butylamino)thioxomethyl]amino}[5-(methylethyl)(3-thienyl)]carboxamide, N-butyl-2-{[5-(propan-2-yl)thiophen-3-yl]carbonyl}hydrazinecarbothioamide
| Molecular Formula | C13H21N3OS2 |
|---|---|
| Molecular Weight | 299.11 g/mol |
| LogP | 2.7805 |
| Topological Polar Surface Area | 53.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 299.1126 |
| Heavy Atoms | 19 |
| Complexity | 429.27774 |
Chemical Identifiers
| CAS Number | 438231-00-6 |
|---|---|
| SMILES | CCCCNC(=S)NNC(=O)C1=CSC(=C1)C(C)C |
Product Overview
1-Butyl-3-[[oxo-(5-propan-2-yl-3-thiophenyl)methyl]amino]thiourea (CAS 438231-00-6), with molecular formula C13H21N3OS2 and molecular weight 299.11 g/mol. IUPAC: 1-butyl-3-[(5-propan-2-ylthiophene-3-carbonyl)amino]thiourea.
Chemical Property Profile of 1-Butyl-3-[[oxo-(5-propan-2-yl-3-thiophenyl)methyl]amino]thiourea
Property Insights of 1-Butyl-3-[[oxo-(5-propan-2-yl-3-thiophenyl)methyl]amino]thiourea
The XLogP value of 2.7805 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butyl-3-[[oxo-(5-propan-2-yl-3-thiophenyl)methyl]amino]thiourea. With a topological polar surface area (TPSA) of 53.16 Ų, 1-Butyl-3-[[oxo-(5-propan-2-yl-3-thiophenyl)methyl]amino]thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butyl-3-[[oxo-(5-propan-2-yl-3-thiophenyl)methyl]amino]thiourea has 3 hydrogen bond donor(s) and 3 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-[[oxo-(5-propan-2-yl-3-thiophenyl)methyl]amino]thiourea?
The CAS number of 1-Butyl-3-[[oxo-(5-propan-2-yl-3-thiophenyl)methyl]amino]thiourea is 438231-00-6.
What is the molecular formula of 1-Butyl-3-[[oxo-(5-propan-2-yl-3-thiophenyl)methyl]amino]thiourea?
The molecular formula of 1-Butyl-3-[[oxo-(5-propan-2-yl-3-thiophenyl)methyl]amino]thiourea is C13H21N3OS2.
What is the molecular weight of 1-Butyl-3-[[oxo-(5-propan-2-yl-3-thiophenyl)methyl]amino]thiourea?
The molecular weight of 1-Butyl-3-[[oxo-(5-propan-2-yl-3-thiophenyl)methyl]amino]thiourea is 299.11 g/mol.
Where can I buy 1-Butyl-3-[[oxo-(5-propan-2-yl-3-thiophenyl)methyl]amino]thiourea?
You can request a quote for 1-Butyl-3-[[oxo-(5-propan-2-yl-3-thiophenyl)methyl]amino]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-[[oxo-(5-propan-2-yl-3-thiophenyl)methyl]amino]thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-Butyl-3-[[oxo-(5-propan-2-yl-3-thiophenyl)methyl]amino]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.