Urea, N,N'-bis((1,3-benzoxathiol-2-ylthio)methyl)-
TL;DR: Urea, N,N'-bis((1,3-benzoxathiol-2-ylthio)methyl)- (CAS 63980-67-6) is a chemical compound with molecular formula C17H16N2O3S4 and molecular weight 424.00436 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-bis(1,3-benzoxathiol-2-ylsulfanylmethyl)urea
Also Known As: USAF B-18, n,n'-bis[[thio]methyl]urea, N,N'-Bis[[ thio]methyl]urea, 1,3-Bis(2-benzothioxolyl-mercaptomethyl)urea, Urea, N,N'-bis((1,3-benzoxathiol-2-ylthio)methyl)-
Technical Specifications
| Molecular Formula | C17H16N2O3S4 |
| Molecular Weight | 424.00436 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 161.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 424.00436 Da |
| Heavy Atoms | 26 |
| Complexity | 447.0 |
| SMILES | C1=CC=C2C(=C1)OC(S2)SCNC(=O)NCSC3OC4=CC=CC=C4S3 |
| InChIKey | KKJFKJBZZXGGNG-UHFFFAOYSA-N |
Chemical Property Profile of Urea, N,N'-bis((1,3-benzoxathiol-2-ylthio)methyl)-
Property Insights of Urea, N,N'-bis((1,3-benzoxathiol-2-ylthio)methyl)-
The XLogP value of 5.3 indicates that Urea, N,N'-bis((1,3-benzoxathiol-2-ylthio)methyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 161.0 Ų indicates high polarity, suggesting Urea, N,N'-bis((1,3-benzoxathiol-2-ylthio)methyl)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Urea, N,N'-bis((1,3-benzoxathiol-2-ylthio)methyl)- has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Urea, N,N'-bis((1,3-benzoxathiol-2-ylthio)methyl)-?
The CAS number of Urea, N,N'-bis((1,3-benzoxathiol-2-ylthio)methyl)- is 63980-67-6.
What is the molecular formula of Urea, N,N'-bis((1,3-benzoxathiol-2-ylthio)methyl)-?
The molecular formula of Urea, N,N'-bis((1,3-benzoxathiol-2-ylthio)methyl)- is C17H16N2O3S4.
What is the molecular weight of Urea, N,N'-bis((1,3-benzoxathiol-2-ylthio)methyl)-?
The molecular weight of Urea, N,N'-bis((1,3-benzoxathiol-2-ylthio)methyl)- is 424.00436 g/mol.
Where can I buy Urea, N,N'-bis((1,3-benzoxathiol-2-ylthio)methyl)-?
You can request a quote for Urea, N,N'-bis((1,3-benzoxathiol-2-ylthio)methyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Urea, N,N'-bis((1,3-benzoxathiol-2-ylthio)methyl)-?
Yes, CoreyChem provides custom synthesis services for Urea, N,N'-bis((1,3-benzoxathiol-2-ylthio)methyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.