6-(2-phenylethenyl)-2-sulfanylidene-1H-pyrimidin-4-one

C12H10N2OS — CID 138857506

IUPAC6-(2-phenylethenyl)-2-sulfanylidene-1H-pyrimidin-4-one
SMILESO=c1cc(C=Cc2ccccc2)[nH]c(=S)[nH]1
InChIInChI=1S/C12H10N2OS/c15-11-8-10(13-12(16)14-11)7-6-9-4-2-1-3-5-9/h1-8H,(H2,13,14,15,16)
InChIKeyXNKHYHGDBWMMII-UHFFFAOYSA-N
MW230.29 g/mol
LogP2.60
Rot. Bonds2

About 6-(2-phenylethenyl)-2-sulfanylidene-1H-pyrimidin-4-one

6-(2-phenylethenyl)-2-sulfanylidene-1H-pyrimidin-4-one (PubChem CID 138857506) has the molecular formula C12H10N2OS and a molecular weight of 230.29 g/mol. Its IUPAC name is 6-(2-phenylethenyl)-2-sulfanylidene-1H-pyrimidin-4-one.

Molecular Properties

Compound Name6-(2-phenylethenyl)-2-sulfanylidene-1H-pyrimidin-4-one
PubChem CID138857506
Molecular FormulaC12H10N2OS
Molecular Weight230.29 g/mol
Exact Mass230.05
IUPAC Name6-(2-phenylethenyl)-2-sulfanylidene-1H-pyrimidin-4-one
SMILESO=c1cc(C=Cc2ccccc2)[nH]c(=S)[nH]1
InChIInChI=1S/C12H10N2OS/c15-11-8-10(13-12(16)14-11)7-6-9-4-2-1-3-5-9/h1-8H,(H2,13,14,15,16)
InChIKeyXNKHYHGDBWMMII-UHFFFAOYSA-N
XLogP2.60
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

4-phenyl-6-[(E)-2-phenylethenyl]-1H-pyrimidin-2-one
CID 22929240
2,5-bis[(E)-2-phenylethenyl]-1H-pyrrole
CID 102597288
4,6-bis(2-phenylethenyl)-1H-pyrimidin-2-one
CID 2959542
6-(1-phenylpropyl)-2-sulfanylidene-1H-pyrimidin-4-one
CID 10868590
4-(2-phenylethenyl)-3H-1,3-thiazole-2-thione
CID 54395958
2-amino-4-(2-phenylethenyl)-1H-pyrimidin-6-one
CID 137217157
6,7-bis[(E)-2-phenylethenyl]-2-sulfanylidene-1H-pteridin-4-one
CID 139016580
3-methoxy-5-[(E)-2-phenylethenyl]-1H-pyrrole-2-carbaldehyde
CID 88571821
CID 70567885
CID 70567885
CID 70569152
CID 70569152
2-methyl-5-(2-phenylethenyl)-1H-imidazole
CID 175264708
4-chloro-2-[(E)-2-phenylethenyl]-1H-indole
CID 118657841

Frequently Asked Questions

What is the IUPAC name of 6-(2-phenylethenyl)-2-sulfanylidene-1H-pyrimidin-4-one?
The IUPAC name of 6-(2-phenylethenyl)-2-sulfanylidene-1H-pyrimidin-4-one (CID 138857506) is 6-(2-phenylethenyl)-2-sulfanylidene-1H-pyrimidin-4-one.
What is the SMILES notation for 6-(2-phenylethenyl)-2-sulfanylidene-1H-pyrimidin-4-one?
The canonical SMILES for 6-(2-phenylethenyl)-2-sulfanylidene-1H-pyrimidin-4-one is O=c1cc(C=Cc2ccccc2)[nH]c(=S)[nH]1.
What is the InChIKey of 6-(2-phenylethenyl)-2-sulfanylidene-1H-pyrimidin-4-one?
The InChIKey is XNKHYHGDBWMMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2OS/c15-11-8-10(13-12(16)14-11)7-6-9-4-2-1-3-5-9/h1-8H,(H2,13,14,15,16).
What are the key properties of 6-(2-phenylethenyl)-2-sulfanylidene-1H-pyrimidin-4-one?
6-(2-phenylethenyl)-2-sulfanylidene-1H-pyrimidin-4-one has a molecular weight of 230.29 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-phenylethenyl)-2-sulfanylidene-1H-pyrimidin-4-one is sourced from PubChem (CID 138857506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).