1,3-(Di-tert-butyl)thiourea
TL;DR: 1,3-(Di-tert-butyl)thiourea (CAS 4041-95-6) is a chemical compound with molecular formula C9H20N2S and molecular weight 188.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-ditert-butylthiourea
Also Known As: 1,3-Di-tert-butylthiourea, 1,3-Di-tert-butyl-2-thiourea, N,N'-Di-tert-butylthiourea, 1,3-ditert-butylthiourea, 1,3-(Di-tert-butyl)thiourea
| Molecular Formula | C9H20N2S |
|---|---|
| Molecular Weight | 188.13 g/mol |
| LogP | 2.0475 |
| Topological Polar Surface Area | 24.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 188.13472 |
| Heavy Atoms | 12 |
| Complexity | 144.3478 |
Chemical Identifiers
| CAS Number | 4041-95-6 |
|---|---|
| SMILES | CC(C)(C)NC(=S)NC(C)(C)C |
Product Overview
1,3-(Di-tert-butyl)thiourea (CAS 4041-95-6), with molecular formula C9H20N2S and molecular weight 188.13 g/mol. IUPAC: 1,3-ditert-butylthiourea.
Chemical Property Profile of 1,3-(Di-tert-butyl)thiourea
Property Insights of 1,3-(Di-tert-butyl)thiourea
The XLogP value of 2.0475 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-(Di-tert-butyl)thiourea. With a topological polar surface area (TPSA) of 24.06 Ų, 1,3-(Di-tert-butyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-(Di-tert-butyl)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 1,3-(Di-tert-butyl)thiourea?
The CAS number of 1,3-(Di-tert-butyl)thiourea is 4041-95-6.
What is the molecular formula of 1,3-(Di-tert-butyl)thiourea?
The molecular formula of 1,3-(Di-tert-butyl)thiourea is C9H20N2S.
What is the molecular weight of 1,3-(Di-tert-butyl)thiourea?
The molecular weight of 1,3-(Di-tert-butyl)thiourea is 188.13 g/mol.
Where can I buy 1,3-(Di-tert-butyl)thiourea?
You can request a quote for 1,3-(Di-tert-butyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-(Di-tert-butyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1,3-(Di-tert-butyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.