TL;DR: (5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 1423118-30-2) is a chemical compound with molecular formula C14H12N2O4S and molecular weight 304.0518 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: (5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione, (Z)-1-allyl-5-(3,4-dihydroxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, (5Z)-5-(3,4-dihydroxybenzylidene)-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C14H12N2O4S |
| Molecular Weight | 304.0518 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 122.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 304.0518 Da |
| Heavy Atoms | 21 |
| Complexity | 517.0 |
| SMILES | C=CCN1C(=O)/C(=C\C2=CC(=C(C=C2)O)O)/C(=O)NC1=S |
| InChIKey | TURVTTXSPCKLDG-TWGQIWQCSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione. Following Lipinski's Rule of Five, (5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione is 1423118-30-2.
The molecular formula of (5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione is C14H12N2O4S.
The molecular weight of (5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione is 304.0518 g/mol.
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