1-tert-Butyl-3-methyl-2-thiourea
TL;DR: 1-tert-Butyl-3-methyl-2-thiourea (CAS 3964-50-9) is a chemical compound with molecular formula C6H14N2S and molecular weight 146.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-3-methylthiourea
Also Known As: 1-tert-butyl-3-methylthiourea, N-methyl-N'-tert-butylthiourea, 3-tert-butyl-1-methylthiourea, 1-tert-Butyl-3-methyl-2-thiourea, N-(t-butyl)-N'-methylthiourea
| Molecular Formula | C6H14N2S |
|---|---|
| Molecular Weight | 146.09 g/mol |
| LogP | 0.8788 |
| Topological Polar Surface Area | 24.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 146.08777 |
| Heavy Atoms | 9 |
| Complexity | 104.115715 |
Chemical Identifiers
| CAS Number | 3964-50-9 |
|---|---|
| SMILES | CC(C)(C)NC(=S)NC |
Product Overview
1-tert-Butyl-3-methyl-2-thiourea (CAS 3964-50-9), with molecular formula C6H14N2S and molecular weight 146.09 g/mol. IUPAC: 1-tert-butyl-3-methylthiourea.
Chemical Property Profile of 1-tert-Butyl-3-methyl-2-thiourea
Property Insights of 1-tert-Butyl-3-methyl-2-thiourea
The XLogP value of 0.8788 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-tert-Butyl-3-methyl-2-thiourea. With a topological polar surface area (TPSA) of 24.06 Ų, 1-tert-Butyl-3-methyl-2-thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-tert-Butyl-3-methyl-2-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-tert-Butyl-3-methyl-2-thiourea?
The CAS number of 1-tert-Butyl-3-methyl-2-thiourea is 3964-50-9.
What is the molecular formula of 1-tert-Butyl-3-methyl-2-thiourea?
The molecular formula of 1-tert-Butyl-3-methyl-2-thiourea is C6H14N2S.
What is the molecular weight of 1-tert-Butyl-3-methyl-2-thiourea?
The molecular weight of 1-tert-Butyl-3-methyl-2-thiourea is 146.09 g/mol.
Where can I buy 1-tert-Butyl-3-methyl-2-thiourea?
You can request a quote for 1-tert-Butyl-3-methyl-2-thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-tert-Butyl-3-methyl-2-thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-tert-Butyl-3-methyl-2-thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.