![[6-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)-1,3-benzothiazol-2-yl] morpholine-4-carbodithioate structure](/static/products/1055/1055-86-3.webp)
[6-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)-1,3-benzothiazol-2-yl] morpholine-4-carbodithioate
TL;DR: [6-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)-1,3-benzothiazol-2-yl] morpholine-4-carbodithioate (CAS 1055-86-3) is a chemical compound with molecular formula C19H22N4OS4 and molecular weight 450.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)-1,3-benzothiazol-2-yl] morpholine-4-carbodithioate
Also Known As: [6-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)-1,3-benzothiazol-2-yl] morpholine-4-carbodithioate|6-(4,4,6-Trimethyl-2-sulfanylidene-3,4-dihydropyrimidin-1(2H)-yl)-1,3-benzothiazol-2-yl morpholine-4-carbodithioate
| Molecular Formula | C19H22N4OS4 |
|---|---|
| Molecular Weight | 450.07 g/mol |
| LogP | 4.3824 |
| Topological Polar Surface Area | 40.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 450.06766 |
| Heavy Atoms | 28 |
| Complexity | 961.9944 |
Chemical Identifiers
| CAS Number | 1055-86-3 |
|---|---|
| SMILES | CC1=CC(NC(=S)N1C2=CC3=C(C=C2)N=C(S3)SC(=S)N4CCOCC4)(C)C |
Product Overview
[6-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)-1,3-benzothiazol-2-yl] morpholine-4-carbodithioate (CAS 1055-86-3), with molecular formula C19H22N4OS4 and molecular weight 450.07 g/mol. IUPAC: [6-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)-1,3-benzothiazol-2-yl] morpholine-4-carbodithioate.
Chemical Property Profile of [6-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)-1,3-benzothiazol-2-yl] morpholine-4-carbodithioate
Property Insights of [6-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)-1,3-benzothiazol-2-yl] morpholine-4-carbodithioate
The XLogP value of 4.3824 indicates that [6-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)-1,3-benzothiazol-2-yl] morpholine-4-carbodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.63 Ų, [6-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)-1,3-benzothiazol-2-yl] morpholine-4-carbodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [6-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)-1,3-benzothiazol-2-yl] morpholine-4-carbodithioate has 1 hydrogen bond donor(s) and 6 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 [6-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)-1,3-benzothiazol-2-yl] morpholine-4-carbodithioate?
The CAS number of [6-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)-1,3-benzothiazol-2-yl] morpholine-4-carbodithioate is 1055-86-3.
What is the molecular formula of [6-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)-1,3-benzothiazol-2-yl] morpholine-4-carbodithioate?
The molecular formula of [6-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)-1,3-benzothiazol-2-yl] morpholine-4-carbodithioate is C19H22N4OS4.
What is the molecular weight of [6-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)-1,3-benzothiazol-2-yl] morpholine-4-carbodithioate?
The molecular weight of [6-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)-1,3-benzothiazol-2-yl] morpholine-4-carbodithioate is 450.07 g/mol.
Where can I buy [6-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)-1,3-benzothiazol-2-yl] morpholine-4-carbodithioate?
You can request a quote for [6-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)-1,3-benzothiazol-2-yl] morpholine-4-carbodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [6-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)-1,3-benzothiazol-2-yl] morpholine-4-carbodithioate?
Yes, KEHONG BIO provides custom synthesis services for [6-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)-1,3-benzothiazol-2-yl] morpholine-4-carbodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.