Tetrahydrobenzothiazole deriv.
TL;DR: Tetrahydrobenzothiazole deriv. (CAS 126830-79-3) is a chemical compound with molecular formula C14H19N3OS3 and molecular weight 341.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl] pyrrolidine-1-carbodithioate
Also Known As: Tetrahydrobenzothiazole deriv., Nickel,compd. with titanium (2:3), 1-Pyrrolidinecarbodithioic acid, 2-oxo-2-((4,5,6,7-tetrahydro-2-benzothiazolyl)amino)ethyl ester, 2((Pyrrolidinothiocarbonylthio)acetamido)-4,5,6,7-tetrahydro-1,3-benzothiazole, [2-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl] pyrrolidine-1-carbodithioate
| Molecular Formula | C14H19N3OS3 |
|---|---|
| Molecular Weight | 341.07 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 341.06903 |
| Heavy Atoms | 21 |
| Complexity | 401.0 |
Chemical Identifiers
| CAS Number | 126830-79-3 |
|---|---|
| SMILES | C1CCC2=C(C1)N=C(S2)NC(=O)CSC(=S)N3CCCC3 |
| InChIKey | FSOLBFZOTAKPOA-UHFFFAOYSA-N |
Product Overview
Tetrahydrobenzothiazole deriv. (CAS 126830-79-3), with molecular formula C14H19N3OS3 and molecular weight 341.07 g/mol. IUPAC: [2-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl] pyrrolidine-1-carbodithioate.
Chemical Property Profile of Tetrahydrobenzothiazole deriv.
Property Insights of Tetrahydrobenzothiazole deriv.
The XLogP value of 3.1 indicates that Tetrahydrobenzothiazole deriv. 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 Tetrahydrobenzothiazole deriv.. Following Lipinski's Rule of Five, Tetrahydrobenzothiazole deriv. has 1 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 Tetrahydrobenzothiazole deriv.?
The CAS number of Tetrahydrobenzothiazole deriv. is 126830-79-3.
What is the molecular formula of Tetrahydrobenzothiazole deriv.?
The molecular formula of Tetrahydrobenzothiazole deriv. is C14H19N3OS3.
What is the molecular weight of Tetrahydrobenzothiazole deriv.?
The molecular weight of Tetrahydrobenzothiazole deriv. is 341.07 g/mol.
Where can I buy Tetrahydrobenzothiazole deriv.?
You can request a quote for Tetrahydrobenzothiazole deriv. directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetrahydrobenzothiazole deriv.?
Yes, KEHONG BIO provides custom synthesis services for Tetrahydrobenzothiazole deriv. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.