![[2-[(2,2,2-Trichloro-1-formamidoethyl)amino]-1,3-benzothiazol-6-yl] thiocyanate structure](/static/products/7001/70015-60-0.webp)
[2-[(2,2,2-Trichloro-1-formamidoethyl)amino]-1,3-benzothiazol-6-yl] thiocyanate
TL;DR: [2-[(2,2,2-Trichloro-1-formamidoethyl)amino]-1,3-benzothiazol-6-yl] thiocyanate (CAS 70015-60-0) is a chemical compound with molecular formula C11H7Cl3N4OS2 and molecular weight 379.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(2,2,2-trichloro-1-formamidoethyl)amino]-1,3-benzothiazol-6-yl] thiocyanate
Also Known As: [2-[(2,2,2-trichloro-1-formamidoethyl)amino]-1,3-benzothiazo, [2-[(2,2,2-trichloro-1-formamidoethyl)amino]-1,3-benzothiazol-6-yl] thiocyanate, 2-[(2,2,2-Trichloro-1-formamidoethyl)amino]-1,3-benzothiazol-6-yl thiocyanate, Thiocyanic acid,2-[[2,2,2-trichloro-1-(formylamino)ethyl]amino]-6-benzothiazolyl ester
| Molecular Formula | C11H7Cl3N4OS2 |
|---|---|
| Molecular Weight | 379.91 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 379.9127 |
| Heavy Atoms | 21 |
| Complexity | 427.0 |
Chemical Identifiers
| CAS Number | 70015-60-0 |
|---|---|
| SMILES | C1=CC2=C(C=C1SC#N)SC(=N2)NC(C(Cl)(Cl)Cl)NC=O |
| InChIKey | WFGJFBYQAATRBA-UHFFFAOYSA-N |
Product Overview
[2-[(2,2,2-Trichloro-1-formamidoethyl)amino]-1,3-benzothiazol-6-yl] thiocyanate (CAS 70015-60-0), with molecular formula C11H7Cl3N4OS2 and molecular weight 379.91 g/mol. IUPAC: [2-[(2,2,2-trichloro-1-formamidoethyl)amino]-1,3-benzothiazol-6-yl] thiocyanate.
Chemical Property Profile of [2-[(2,2,2-Trichloro-1-formamidoethyl)amino]-1,3-benzothiazol-6-yl] thiocyanate
Property Insights of [2-[(2,2,2-Trichloro-1-formamidoethyl)amino]-1,3-benzothiazol-6-yl] thiocyanate
The XLogP value of 5.2 indicates that [2-[(2,2,2-Trichloro-1-formamidoethyl)amino]-1,3-benzothiazol-6-yl] thiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-[(2,2,2-Trichloro-1-formamidoethyl)amino]-1,3-benzothiazol-6-yl] thiocyanate. Following Lipinski's Rule of Five, [2-[(2,2,2-Trichloro-1-formamidoethyl)amino]-1,3-benzothiazol-6-yl] thiocyanate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [2-[(2,2,2-Trichloro-1-formamidoethyl)amino]-1,3-benzothiazol-6-yl] thiocyanate?
The CAS number of [2-[(2,2,2-Trichloro-1-formamidoethyl)amino]-1,3-benzothiazol-6-yl] thiocyanate is 70015-60-0.
What is the molecular formula of [2-[(2,2,2-Trichloro-1-formamidoethyl)amino]-1,3-benzothiazol-6-yl] thiocyanate?
The molecular formula of [2-[(2,2,2-Trichloro-1-formamidoethyl)amino]-1,3-benzothiazol-6-yl] thiocyanate is C11H7Cl3N4OS2.
What is the molecular weight of [2-[(2,2,2-Trichloro-1-formamidoethyl)amino]-1,3-benzothiazol-6-yl] thiocyanate?
The molecular weight of [2-[(2,2,2-Trichloro-1-formamidoethyl)amino]-1,3-benzothiazol-6-yl] thiocyanate is 379.91 g/mol.
Where can I buy [2-[(2,2,2-Trichloro-1-formamidoethyl)amino]-1,3-benzothiazol-6-yl] thiocyanate?
You can request a quote for [2-[(2,2,2-Trichloro-1-formamidoethyl)amino]-1,3-benzothiazol-6-yl] thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-[(2,2,2-Trichloro-1-formamidoethyl)amino]-1,3-benzothiazol-6-yl] thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for [2-[(2,2,2-Trichloro-1-formamidoethyl)amino]-1,3-benzothiazol-6-yl] thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.