5-(3-Methyl-1,3-benzothiazol-2-ylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
TL;DR: 5-(3-Methyl-1,3-benzothiazol-2-ylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 301331-25-9) is a chemical compound with molecular formula C12H9N3O2S2 and molecular weight 291.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: F0163-0015, 5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione, 5-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione, 5-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 5-(3-methylbenzo[d]thiazol-2(3H)-ylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C12H9N3O2S2 |
|---|---|
| Molecular Weight | 291.01 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 291.0136 |
| Heavy Atoms | 19 |
| Complexity | 481.0 |
Chemical Identifiers
| CAS Number | 301331-25-9 |
|---|---|
| SMILES | CN1C2=CC=CC=C2SC1=C3C(=O)NC(=S)NC3=O |
| InChIKey | HSUUCAGJQUTVTB-UHFFFAOYSA-N |
Product Overview
5-(3-Methyl-1,3-benzothiazol-2-ylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 301331-25-9), with molecular formula C12H9N3O2S2 and molecular weight 291.01 g/mol. IUPAC: 5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of 5-(3-Methyl-1,3-benzothiazol-2-ylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
Property Insights of 5-(3-Methyl-1,3-benzothiazol-2-ylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3-Methyl-1,3-benzothiazol-2-ylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3-Methyl-1,3-benzothiazol-2-ylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione. Following Lipinski's Rule of Five, 5-(3-Methyl-1,3-benzothiazol-2-ylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione has 2 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 5-(3-Methyl-1,3-benzothiazol-2-ylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione?
The CAS number of 5-(3-Methyl-1,3-benzothiazol-2-ylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione is 301331-25-9.
What is the molecular formula of 5-(3-Methyl-1,3-benzothiazol-2-ylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular formula of 5-(3-Methyl-1,3-benzothiazol-2-ylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione is C12H9N3O2S2.
What is the molecular weight of 5-(3-Methyl-1,3-benzothiazol-2-ylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular weight of 5-(3-Methyl-1,3-benzothiazol-2-ylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione is 291.01 g/mol.
Where can I buy 5-(3-Methyl-1,3-benzothiazol-2-ylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione?
You can request a quote for 5-(3-Methyl-1,3-benzothiazol-2-ylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3-Methyl-1,3-benzothiazol-2-ylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-Methyl-1,3-benzothiazol-2-ylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.