5-(2-Bromoprop-2-en-1-yl)-5-(cyclopent-2-en-1-yl)-4,6-dihydroxypyrimidine-2(5H)-thione

HCID 3033366

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Basic information

CAS: 66942-10-7
Standard SMILES: C=C(Br)CC1(C2C=CCC2)C(=O)NC(=S)NC1=O
InChIKey: ZHAMMZYZVMFHKU-UHFFFAOYSA-N
Molecular formula: C12H13BrN2O2S
Average molar mass: 329.21 g/mol
Monoisotopic mass: 327.98811

Names & identifiers

Preferred name: 5-(2-Bromoprop-2-en-1-yl)-5-(cyclopent-2-en-1-yl)-4,6-dihydroxypyrimidine-2(5H)-thione
IUPAC: 5-(2-bromoprop-2-enyl)-5-cyclopent-2-en-1-yl-2-sulfanylidene-1,3-diazinane-4,6-dione
English name: 5-(2-Bromo-2-propenyl)-5-(2-cyclopentenyl)-2,3-dihydro-2-thioxo-4,6(1H,5H)-pyrimidinedione
Molecular formula: C12H13BrN2O2S
Molecular weight: 329.21

Names & synonyms

66942-10-7DTXSID209856835-(2-Bromoprop-2-en-1-yl)-5-(cyclopent-2-en-1-yl)-4,6-dihydroxypyrimidine-2(5H)-thioneRefChem:1072372DTXCID001412874BRN 02684585-(2-Bromoallyl)-5-(2-cyclopentenyl)-2-thiobarbituric acidBARBITURIC ACID, 5-(2-BROMOALLYL)-5-(2-CYCLOPENTENYL)-2-THIO-5-(2-Bromo-2-propenyl)-5-(2-cyclopentenyl)-2,3-dihydro-2-thioxo-4,6(1H,5H)-pyrimidinedione4,6(1H,5H)-Pyrimidinedione, 5-(2-bromo-2-propen-1-yl)-5-(2-cyclopenten-1-yl)dihydro-2-thioxo-

Database identifiers

CAS: 66942-10-7
PubChem CID: 3033366
DTXSID: DTXSID20985683
Nikkaji: J93.495J

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 90.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 18
Formal charge: 0
Complexity: 453

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