1,3-Bis(benzotriazol-1-ylmethyl)thiourea
TL;DR: 1,3-Bis(benzotriazol-1-ylmethyl)thiourea (CAS 28539-03-9) is a chemical compound with molecular formula C15H14N8S and molecular weight 338.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis(benzotriazol-1-ylmethyl)thiourea
Also Known As: starbld0037717, 1,3-bis(benzotriazol-1-ylmethyl)thiourea, 1,3-Bis(1H-1,2,3-benzotriazol-1-ylmethyl)thiourea, 1,3-Bis((1H-benzo[d][1,2,3]triazol-1-yl)methyl)thiourea, N,N'-Bis[(1H-1,2,3-benzotriazol-1-yl)methyl]thiourea
| Molecular Formula | C15H14N8S |
|---|---|
| Molecular Weight | 338.11 g/mol |
| LogP | 1.2553 |
| Topological Polar Surface Area | 85.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 338.1062 |
| Heavy Atoms | 24 |
| Complexity | 924.73663 |
Chemical Identifiers
| CAS Number | 28539-03-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=NN2CNC(=S)NCN3C4=CC=CC=C4N=N3 |
Product Overview
1,3-Bis(benzotriazol-1-ylmethyl)thiourea (CAS 28539-03-9), with molecular formula C15H14N8S and molecular weight 338.11 g/mol. IUPAC: 1,3-bis(benzotriazol-1-ylmethyl)thiourea.
Chemical Property Profile of 1,3-Bis(benzotriazol-1-ylmethyl)thiourea
Property Insights of 1,3-Bis(benzotriazol-1-ylmethyl)thiourea
The XLogP value of 1.2553 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Bis(benzotriazol-1-ylmethyl)thiourea. The TPSA of 85.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Bis(benzotriazol-1-ylmethyl)thiourea. Following Lipinski's Rule of Five, 1,3-Bis(benzotriazol-1-ylmethyl)thiourea has 2 hydrogen bond donor(s) and 5 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-Bis(benzotriazol-1-ylmethyl)thiourea?
The CAS number of 1,3-Bis(benzotriazol-1-ylmethyl)thiourea is 28539-03-9.
What is the molecular formula of 1,3-Bis(benzotriazol-1-ylmethyl)thiourea?
The molecular formula of 1,3-Bis(benzotriazol-1-ylmethyl)thiourea is C15H14N8S.
What is the molecular weight of 1,3-Bis(benzotriazol-1-ylmethyl)thiourea?
The molecular weight of 1,3-Bis(benzotriazol-1-ylmethyl)thiourea is 338.11 g/mol.
Where can I buy 1,3-Bis(benzotriazol-1-ylmethyl)thiourea?
You can request a quote for 1,3-Bis(benzotriazol-1-ylmethyl)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-Bis(benzotriazol-1-ylmethyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Bis(benzotriazol-1-ylmethyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.