![1-[2-(Butylsulfanyl)-1,3-benzothiazol-6-yl]-3-phenylurea structure](/static/products/331/331244-37-2.png)
1-[2-(Butylsulfanyl)-1,3-benzothiazol-6-yl]-3-phenylurea
TL;DR: 1-[2-(Butylsulfanyl)-1,3-benzothiazol-6-yl]-3-phenylurea (CAS 331244-37-2) is a chemical compound with molecular formula C18H19N3OS2 and molecular weight 357.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-butylsulfanyl-1,3-benzothiazol-6-yl)-3-phenylurea
Also Known As: 1-(2-(butylthio)benzo[d]thiazol-6-yl)-3-phenylurea, 1-(2-butylsulfanyl-1,3-benzothiazol-6-yl)-3-phenylurea, 1-[2-(butylsulfanyl)-1,3-benzothiazol-6-yl]-3-phenylurea
| Molecular Formula | C18H19N3OS2 |
|---|---|
| Molecular Weight | 357.10 g/mol |
| LogP | 5.8325 |
| Topological Polar Surface Area | 54.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 357.09695 |
| Heavy Atoms | 24 |
| Complexity | 817.5018 |
Chemical Identifiers
| CAS Number | 331244-37-2 |
|---|---|
| SMILES | CCCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)NC3=CC=CC=C3 |
Product Overview
1-[2-(Butylsulfanyl)-1,3-benzothiazol-6-yl]-3-phenylurea (CAS 331244-37-2), with molecular formula C18H19N3OS2 and molecular weight 357.10 g/mol. IUPAC: 1-(2-butylsulfanyl-1,3-benzothiazol-6-yl)-3-phenylurea.
Chemical Property Profile of 1-[2-(Butylsulfanyl)-1,3-benzothiazol-6-yl]-3-phenylurea
Property Insights of 1-[2-(Butylsulfanyl)-1,3-benzothiazol-6-yl]-3-phenylurea
The XLogP value of 5.8325 indicates that 1-[2-(Butylsulfanyl)-1,3-benzothiazol-6-yl]-3-phenylurea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.02 Ų, 1-[2-(Butylsulfanyl)-1,3-benzothiazol-6-yl]-3-phenylurea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[2-(Butylsulfanyl)-1,3-benzothiazol-6-yl]-3-phenylurea has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-[2-(Butylsulfanyl)-1,3-benzothiazol-6-yl]-3-phenylurea?
The CAS number of 1-[2-(Butylsulfanyl)-1,3-benzothiazol-6-yl]-3-phenylurea is 331244-37-2.
What is the molecular formula of 1-[2-(Butylsulfanyl)-1,3-benzothiazol-6-yl]-3-phenylurea?
The molecular formula of 1-[2-(Butylsulfanyl)-1,3-benzothiazol-6-yl]-3-phenylurea is C18H19N3OS2.
What is the molecular weight of 1-[2-(Butylsulfanyl)-1,3-benzothiazol-6-yl]-3-phenylurea?
The molecular weight of 1-[2-(Butylsulfanyl)-1,3-benzothiazol-6-yl]-3-phenylurea is 357.10 g/mol.
Where can I buy 1-[2-(Butylsulfanyl)-1,3-benzothiazol-6-yl]-3-phenylurea?
You can request a quote for 1-[2-(Butylsulfanyl)-1,3-benzothiazol-6-yl]-3-phenylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[2-(Butylsulfanyl)-1,3-benzothiazol-6-yl]-3-phenylurea?
Yes, KEHONG BIO provides custom synthesis services for 1-[2-(Butylsulfanyl)-1,3-benzothiazol-6-yl]-3-phenylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.