6-phenyl-3-prop-2-enyl-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one

C15H12N2OS2 — CID 2471294

IUPAC6-phenyl-3-prop-2-enyl-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one
SMILESC=CCn1c(=S)[nH]c2cc(-c3ccccc3)sc2c1=O
InChIInChI=1S/C15H12N2OS2/c1-2-8-17-14(18)13-11(16-15(17)19)9-12(20-13)10-6-4-3-5-7-10/h2-7,9H,1,8H2,(H,16,19)
InChIKeyGGENUWAINMQXJG-UHFFFAOYSA-N
MW300.41 g/mol
LogP3.97
Rot. Bonds3

About 6-phenyl-3-prop-2-enyl-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one

6-phenyl-3-prop-2-enyl-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 2471294) has the molecular formula C15H12N2OS2 and a molecular weight of 300.41 g/mol. Its IUPAC name is 6-phenyl-3-prop-2-enyl-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-phenyl-3-prop-2-enyl-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one
PubChem CID2471294
Molecular FormulaC15H12N2OS2
Molecular Weight300.41 g/mol
Exact Mass300.04
IUPAC Name6-phenyl-3-prop-2-enyl-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one
SMILESC=CCn1c(=S)[nH]c2cc(-c3ccccc3)sc2c1=O
InChIInChI=1S/C15H12N2OS2/c1-2-8-17-14(18)13-11(16-15(17)19)9-12(20-13)10-6-4-3-5-7-10/h2-7,9H,1,8H2,(H,16,19)
InChIKeyGGENUWAINMQXJG-UHFFFAOYSA-N
XLogP3.97
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-3-prop-2-enyl-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 6-phenyl-3-prop-2-enyl-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one (CID 2471294) is 6-phenyl-3-prop-2-enyl-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 6-phenyl-3-prop-2-enyl-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 6-phenyl-3-prop-2-enyl-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one is C=CCn1c(=S)[nH]c2cc(-c3ccccc3)sc2c1=O.
What is the InChIKey of 6-phenyl-3-prop-2-enyl-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is GGENUWAINMQXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS2/c1-2-8-17-14(18)13-11(16-15(17)19)9-12(20-13)10-6-4-3-5-7-10/h2-7,9H,1,8H2,(H,16,19).
What are the key properties of 6-phenyl-3-prop-2-enyl-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one?
6-phenyl-3-prop-2-enyl-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 300.41 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-3-prop-2-enyl-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 2471294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).