1,3-Bis(benzothiazol-2-ylthiomethyl)urea
TL;DR: 1,3-Bis(benzothiazol-2-ylthiomethyl)urea (CAS 95-35-2) is a chemical compound with molecular formula C17H14N4OS4 and molecular weight 418.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis(1,3-benzothiazol-2-ylsulfanylmethyl)urea
Also Known As: UreaCream, 1,3-Bis(benzothiazol-2-ylthiomethyl)urea, EL 60, 1,3-Bis(2-benzothiazolemercaptomethyl)urea, 1,3-Bis((2-benzothiazolylthio)methyl)urea
| Molecular Formula | C17H14N4OS4 |
|---|---|
| Molecular Weight | 418.01 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 174.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 418.00504 |
| Heavy Atoms | 26 |
| Complexity | 446.0 |
Chemical Identifiers
| CAS Number | 95-35-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)SCNC(=O)NCSC3=NC4=CC=CC=C4S3 |
| InChIKey | WYHIYIVTCWNVCW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Bis(benzothiazol-2-ylthiomethyl)urea (CAS 95-35-2), with molecular formula C17H14N4OS4 and molecular weight 418.01 g/mol. IUPAC: 1,3-bis(1,3-benzothiazol-2-ylsulfanylmethyl)urea.
Chemical Property Profile of 1,3-Bis(benzothiazol-2-ylthiomethyl)urea
Property Insights of 1,3-Bis(benzothiazol-2-ylthiomethyl)urea
The XLogP value of 5.6 indicates that 1,3-Bis(benzothiazol-2-ylthiomethyl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 174.0 Ų indicates high polarity, suggesting 1,3-Bis(benzothiazol-2-ylthiomethyl)urea may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,3-Bis(benzothiazol-2-ylthiomethyl)urea has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-Bis(benzothiazol-2-ylthiomethyl)urea?
The CAS number of 1,3-Bis(benzothiazol-2-ylthiomethyl)urea is 95-35-2.
What is the molecular formula of 1,3-Bis(benzothiazol-2-ylthiomethyl)urea?
The molecular formula of 1,3-Bis(benzothiazol-2-ylthiomethyl)urea is C17H14N4OS4.
What is the molecular weight of 1,3-Bis(benzothiazol-2-ylthiomethyl)urea?
The molecular weight of 1,3-Bis(benzothiazol-2-ylthiomethyl)urea is 418.01 g/mol.
Where can I buy 1,3-Bis(benzothiazol-2-ylthiomethyl)urea?
You can request a quote for 1,3-Bis(benzothiazol-2-ylthiomethyl)urea 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(benzothiazol-2-ylthiomethyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Bis(benzothiazol-2-ylthiomethyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.