AC1LLCD4
8-[(Z)-3-chlorobut-2-enyl]sulfanyl-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione
Also Known As: UPCMLD0ENAT5843112:001|8-[(Z)-3-chlorobut-2-enyl]sulfanyl-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione|(Z)-8-((3-chlorobut-2-en-1-yl)thio)-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione|8-{[(2Z)-3-chlorobut-2-en-1-yl]sulfanyl}-3-methyl-7-(3-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
CAS: 332033-63-3
| Molecular Formula | C18H19ClN4O2S |
|---|---|
| Molecular Weight | 390.09174 g/mol |
| LogP | 3.01472 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 390.09174 |
| Monoisotopic Mass | 390.09174 |
| Heavy Atoms | 26 |
| Complexity | 1106.5571 |
Chemical Identifiers
| CAS Number | 332033-63-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CN2C3=C(N=C2SC/C=C(/C)\Cl)N(C(=O)NC3=O)C |
Product Overview
AC1LLCD4 (CAS 332033-63-3), with molecular formula C18H19ClN4O2S and molecular weight 390.09174 g/mol. IUPAC: 8-[(Z)-3-chlorobut-2-enyl]sulfanyl-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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