Formula |
C11H10N2OS |
IUPAC Name |
6-benzyl-2-thioxo-pyrimidin-4-one |
Molecular Mass |
218.275 g·mol−1 |
Heat of Formation |
11.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.05 ± 1.08 D |
Volume |
254.66 Å 3 |
Surface Area |
238.58 Å 2 |
HOMO Energy |
-8.93 ± 0.55 eV |
LUMO Energy |
-1.04 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 4(1h)-pyrimidinone, 2,3-dihydro-6-(phenylmethyl)-2-thioxo-
- 5r-0229
- 6-(benzyl)-2-thioxo-1h-pyrimidin-4-one
- 6-(phenylmethyl)-2-sulfanylidene-1h-pyrimidin-4-one
- 6-(phenylmethyl)-2-thioxo-1h-pyrimidin-4-one
- 6-benzyl-2-sulfanyl-4-pyrimidinol
- 6-benzyl-2-thiouracil
- basdene
- oprea1_298832
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CAS Number(s) |
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InChIKey |
PNXBXCRWXNESOV-UHFFFAOYSA-N |
QR Code |
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Links |
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Downloads |
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Elements |
H
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