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

C10H10N2OS2 — CID 23259557

IUPAC6-methyl-3-prop-2-enyl-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one
SMILESC=CCn1c(=S)[nH]c2cc(C)sc2c1=O
InChIInChI=1S/C10H10N2OS2/c1-3-4-12-9(13)8-7(11-10(12)14)5-6(2)15-8/h3,5H,1,4H2,2H3,(H,11,14)
InChIKeySCZCAFUOMPKCMJ-UHFFFAOYSA-N
MW238.34 g/mol
LogP2.62
Rot. Bonds2

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

6-methyl-3-prop-2-enyl-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 23259557) has the molecular formula C10H10N2OS2 and a molecular weight of 238.34 g/mol. Its IUPAC name is 6-methyl-3-prop-2-enyl-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-3-prop-2-enyl-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one
PubChem CID23259557
Molecular FormulaC10H10N2OS2
Molecular Weight238.34 g/mol
Exact Mass238.02
IUPAC Name6-methyl-3-prop-2-enyl-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one
SMILESC=CCn1c(=S)[nH]c2cc(C)sc2c1=O
InChIInChI=1S/C10H10N2OS2/c1-3-4-12-9(13)8-7(11-10(12)14)5-6(2)15-8/h3,5H,1,4H2,2H3,(H,11,14)
InChIKeySCZCAFUOMPKCMJ-UHFFFAOYSA-N
XLogP2.62
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.34
LogP ≤ 52.62
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-methyl-3-prop-2-enyl-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 6-methyl-3-prop-2-enyl-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one (CID 23259557) is 6-methyl-3-prop-2-enyl-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-3-prop-2-enyl-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 6-methyl-3-prop-2-enyl-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one is C=CCn1c(=S)[nH]c2cc(C)sc2c1=O.
What is the InChIKey of 6-methyl-3-prop-2-enyl-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is SCZCAFUOMPKCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS2/c1-3-4-12-9(13)8-7(11-10(12)14)5-6(2)15-8/h3,5H,1,4H2,2H3,(H,11,14).
What are the key properties of 6-methyl-3-prop-2-enyl-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one?
6-methyl-3-prop-2-enyl-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 238.34 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-prop-2-enyl-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 23259557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).