1,1-Dibenzyl-thiourea
TL;DR: 1,1-Dibenzyl-thiourea (CAS 40398-34-3) is a chemical compound with molecular formula C15H16N2S and molecular weight 256.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dibenzylthiourea
Also Known As: 1,1-Dibenzyl-thiourea, 1,1-dibenzylthiourea, Dibenzylthioharnstoff, N,N-dibenzylthiourea, N,N-dibenzylisothiourea
| Molecular Formula | C15H16N2S |
|---|---|
| Molecular Weight | 256.10 g/mol |
| LogP | 2.9324 |
| Topological Polar Surface Area | 29.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 256.10342 |
| Heavy Atoms | 18 |
| Complexity | 454.91675 |
Chemical Identifiers
| CAS Number | 40398-34-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=S)N |
Product Overview
1,1-Dibenzyl-thiourea (CAS 40398-34-3), with molecular formula C15H16N2S and molecular weight 256.10 g/mol. IUPAC: 1,1-dibenzylthiourea.
Chemical Property Profile of 1,1-Dibenzyl-thiourea
Property Insights of 1,1-Dibenzyl-thiourea
The XLogP value of 2.9324 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Dibenzyl-thiourea. With a topological polar surface area (TPSA) of 29.26 Ų, 1,1-Dibenzyl-thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Dibenzyl-thiourea has 1 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 1,1-Dibenzyl-thiourea?
The CAS number of 1,1-Dibenzyl-thiourea is 40398-34-3.
What is the molecular formula of 1,1-Dibenzyl-thiourea?
The molecular formula of 1,1-Dibenzyl-thiourea is C15H16N2S.
What is the molecular weight of 1,1-Dibenzyl-thiourea?
The molecular weight of 1,1-Dibenzyl-thiourea is 256.10 g/mol.
Where can I buy 1,1-Dibenzyl-thiourea?
You can request a quote for 1,1-Dibenzyl-thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Dibenzyl-thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dibenzyl-thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.