Basic information
- CAS
347385-74-4- Standard SMILES
Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1ccc(Cl)cc1- InChIKey
HXUVCFPMTQSBLR-UHFFFAOYSA-N- Molecular formula
- C19H18ClN3O2S
- Average molar mass
- 387.9 g/mol
- Monoisotopic mass
- 387.0808257
Names & identifiers
- Preferred name
- 5-[[1-(4-Chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
- IUPAC
- 5-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
- English name
- 5-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
- Molecular formula
- C19H18ClN3O2S
- Molecular weight
- 387.88
Names & synonyms
5-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione5-((1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dioneSTK396840AKOS0016449005-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dioneAH-487/152740265-{[1-(4-CHLOROPHENYL)-2,5-DIMETHYL-1H-PYRROL-3-YL]METHYLIDENE}-1,3-DIMETHYL-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE5-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione4,6(1H,5H)-Pyrimidinedione, 5-[[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene]dihydro-1,3-dimethyl-2-thioxo-
Database identifiers
- CAS
347385-74-4- PubChem CID
- 1000563
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 77.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 619
Physicochemical properties
- Boiling point
- 515.1 · 515.1±60.0 °C(Predicted)
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- pka
- -2.4 · -2.40±0.20(Predicted)
Chemistry & industry
Suppliers2 total
Interbioscreen Ltd.[email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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