6-prop-2-enyl-1H-pyrimidine-4-thione

C7H8N2S — CID 144798521

IUPAC6-prop-2-enyl-1H-pyrimidine-4-thione
SMILESC=CCc1cc(=S)nc[nH]1
InChIInChI=1S/C7H8N2S/c1-2-3-6-4-7(10)9-5-8-6/h2,4-5H,1,3H2,(H,8,9,10)
InChIKeyWJBQNVGFKSKBGK-UHFFFAOYSA-N
MW152.22 g/mol
LogP1.87
Rot. Bonds2

About 6-prop-2-enyl-1H-pyrimidine-4-thione

6-prop-2-enyl-1H-pyrimidine-4-thione (PubChem CID 144798521) has the molecular formula C7H8N2S and a molecular weight of 152.22 g/mol. Its IUPAC name is 6-prop-2-enyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-prop-2-enyl-1H-pyrimidine-4-thione
PubChem CID144798521
Molecular FormulaC7H8N2S
Molecular Weight152.22 g/mol
Exact Mass152.04
IUPAC Name6-prop-2-enyl-1H-pyrimidine-4-thione
SMILESC=CCc1cc(=S)nc[nH]1
InChIInChI=1S/C7H8N2S/c1-2-3-6-4-7(10)9-5-8-6/h2,4-5H,1,3H2,(H,8,9,10)
InChIKeyWJBQNVGFKSKBGK-UHFFFAOYSA-N
XLogP1.87
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-Ethyl-1,4-dihydropyrimidine
CID 19748726
6-Propylpyrimidine-4-thiol
CID 52004866
6-ethyl-1H-pyrimidine-4-thione
CID 61236035
6-(Propan-2-yl)pyrimidine-4-thiol
CID 61240348
2-(4-sulfanylidene-1H-pyrimidin-6-yl)acetonitrile
CID 67989267
2-(4-sulfanylidene-1H-pyrimidin-6-yl)propanenitrile
CID 67989293
6-cyclopropyl-1H-pyrimidine-4-thione
CID 106478449
6-Ethyl-1,4-dihydropyrimidin-4-amine
CID 123387802
ethane;6-methyl-1H-pyrimidine-4-thione
CID 145330357
4,6-dimethyl-1H-pyrimidin-4-ide;lawrencium
CID 145531779
6-tert-butyl-1H-pyrimidine-4-thione
CID 106475912
6-(2-methylpropyl)-1H-pyrimidine-4-thione
CID 106481376

Frequently Asked Questions

What is the IUPAC name of 6-prop-2-enyl-1H-pyrimidine-4-thione?
The IUPAC name of 6-prop-2-enyl-1H-pyrimidine-4-thione (CID 144798521) is 6-prop-2-enyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-prop-2-enyl-1H-pyrimidine-4-thione?
The canonical SMILES for 6-prop-2-enyl-1H-pyrimidine-4-thione is C=CCc1cc(=S)nc[nH]1.
What is the InChIKey of 6-prop-2-enyl-1H-pyrimidine-4-thione?
The InChIKey is WJBQNVGFKSKBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2S/c1-2-3-6-4-7(10)9-5-8-6/h2,4-5H,1,3H2,(H,8,9,10).
What are the key properties of 6-prop-2-enyl-1H-pyrimidine-4-thione?
6-prop-2-enyl-1H-pyrimidine-4-thione has a molecular weight of 152.22 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-prop-2-enyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 144798521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).