3-ethenyl-5-hydroxy-2-phenylpyrimidine-4-thione

C12H10N2OS — CID 13329295

IUPAC3-ethenyl-5-hydroxy-2-phenylpyrimidine-4-thione
SMILESC=Cn1c(-c2ccccc2)ncc(O)c1=S
InChIInChI=1S/C12H10N2OS/c1-2-14-11(9-6-4-3-5-7-9)13-8-10(15)12(14)16/h2-8,15H,1H2
InChIKeyJHCQWWTVQGFTPT-UHFFFAOYSA-N
MW230.29 g/mol
LogP3.09
Rot. Bonds2

About 3-ethenyl-5-hydroxy-2-phenylpyrimidine-4-thione

3-ethenyl-5-hydroxy-2-phenylpyrimidine-4-thione (PubChem CID 13329295) has the molecular formula C12H10N2OS and a molecular weight of 230.29 g/mol. Its IUPAC name is 3-ethenyl-5-hydroxy-2-phenylpyrimidine-4-thione.

Molecular Properties

Compound Name3-ethenyl-5-hydroxy-2-phenylpyrimidine-4-thione
PubChem CID13329295
Molecular FormulaC12H10N2OS
Molecular Weight230.29 g/mol
Exact Mass230.05
IUPAC Name3-ethenyl-5-hydroxy-2-phenylpyrimidine-4-thione
SMILESC=Cn1c(-c2ccccc2)ncc(O)c1=S
InChIInChI=1S/C12H10N2OS/c1-2-14-11(9-6-4-3-5-7-9)13-8-10(15)12(14)16/h2-8,15H,1H2
InChIKeyJHCQWWTVQGFTPT-UHFFFAOYSA-N
XLogP3.09
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1-chloroethenyl)-1-ethenyl-5-methyl-4-phenylimidazole
CID 145386235
5-methyl-2-phenyl-3-prop-2-enylpyrimidin-4-one
CID 142016794
1-benzyl-5-methyl-2-phenylimidazole
CID 10467205
4-hydroxy-3,5-diphenyl-1,2,4-triazole
CID 14382453
5-hydroxy-4-phenylpyridine-2-carbaldehyde
CID 131602436
1-ethenyl-5-phenylpyrrole-2-carboxylate
CID 4228674
2-[5-(methoxymethyl)-6-oxo-2-phenylpyrimidin-1-yl]acetic acid
CID 18366637
5-ethenyl-2-phenylpyrimidine
CID 14317297
chloroethene;phenol
CID 19792278
9-ethenylcarbazole;dihydrochloride
CID 90094696
4-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione
CID 136673038
5-methyl-2-phenyl-1,3-thiazine-6-thione
CID 13358812

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-5-hydroxy-2-phenylpyrimidine-4-thione?
The IUPAC name of 3-ethenyl-5-hydroxy-2-phenylpyrimidine-4-thione (CID 13329295) is 3-ethenyl-5-hydroxy-2-phenylpyrimidine-4-thione.
What is the SMILES notation for 3-ethenyl-5-hydroxy-2-phenylpyrimidine-4-thione?
The canonical SMILES for 3-ethenyl-5-hydroxy-2-phenylpyrimidine-4-thione is C=Cn1c(-c2ccccc2)ncc(O)c1=S.
What is the InChIKey of 3-ethenyl-5-hydroxy-2-phenylpyrimidine-4-thione?
The InChIKey is JHCQWWTVQGFTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2OS/c1-2-14-11(9-6-4-3-5-7-9)13-8-10(15)12(14)16/h2-8,15H,1H2.
What are the key properties of 3-ethenyl-5-hydroxy-2-phenylpyrimidine-4-thione?
3-ethenyl-5-hydroxy-2-phenylpyrimidine-4-thione has a molecular weight of 230.29 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-5-hydroxy-2-phenylpyrimidine-4-thione is sourced from PubChem (CID 13329295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).