1-prop-2-enyl-2H-pyrimidine-2-thiol

C7H10N2S — CID 173143300

IUPAC1-prop-2-enyl-2H-pyrimidine-2-thiol
SMILESC=CCN1C=CC=NC1S
InChIInChI=1S/C7H10N2S/c1-2-5-9-6-3-4-8-7(9)10/h2-4,6-7,10H,1,5H2
InChIKeyVHDJSTLDMNWYTD-UHFFFAOYSA-N
MW154.24 g/mol
LogP1.29
Rot. Bonds2

About 1-prop-2-enyl-2H-pyrimidine-2-thiol

1-prop-2-enyl-2H-pyrimidine-2-thiol (PubChem CID 173143300) has the molecular formula C7H10N2S and a molecular weight of 154.24 g/mol. Its IUPAC name is 1-prop-2-enyl-2H-pyrimidine-2-thiol.

Molecular Properties

Compound Name1-prop-2-enyl-2H-pyrimidine-2-thiol
PubChem CID173143300
Molecular FormulaC7H10N2S
Molecular Weight154.24 g/mol
Exact Mass154.06
IUPAC Name1-prop-2-enyl-2H-pyrimidine-2-thiol
SMILESC=CCN1C=CC=NC1S
InChIInChI=1S/C7H10N2S/c1-2-5-9-6-3-4-8-7(9)10/h2-4,6-7,10H,1,5H2
InChIKeyVHDJSTLDMNWYTD-UHFFFAOYSA-N
XLogP1.29
TPSA15.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-2H-pyrimidine-2-thiol?
The IUPAC name of 1-prop-2-enyl-2H-pyrimidine-2-thiol (CID 173143300) is 1-prop-2-enyl-2H-pyrimidine-2-thiol.
What is the SMILES notation for 1-prop-2-enyl-2H-pyrimidine-2-thiol?
The canonical SMILES for 1-prop-2-enyl-2H-pyrimidine-2-thiol is C=CCN1C=CC=NC1S.
What is the InChIKey of 1-prop-2-enyl-2H-pyrimidine-2-thiol?
The InChIKey is VHDJSTLDMNWYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S/c1-2-5-9-6-3-4-8-7(9)10/h2-4,6-7,10H,1,5H2.
What are the key properties of 1-prop-2-enyl-2H-pyrimidine-2-thiol?
1-prop-2-enyl-2H-pyrimidine-2-thiol has a molecular weight of 154.24 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-2H-pyrimidine-2-thiol is sourced from PubChem (CID 173143300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).