3-(2-methylsulfanylethyl)-1H-quinazoline-2,4-dione

C11H12N2O2S — CID 15165577

IUPAC3-(2-methylsulfanylethyl)-1H-quinazoline-2,4-dione
SMILESCSCCn1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C11H12N2O2S/c1-16-7-6-13-10(14)8-4-2-3-5-9(8)12-11(13)15/h2-5H,6-7H2,1H3,(H,12,15)
InChIKeyXSNFAXLWWRYLOK-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.05
Rot. Bonds3

About 3-(2-methylsulfanylethyl)-1H-quinazoline-2,4-dione

3-(2-methylsulfanylethyl)-1H-quinazoline-2,4-dione (PubChem CID 15165577) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 3-(2-methylsulfanylethyl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-(2-methylsulfanylethyl)-1H-quinazoline-2,4-dione
PubChem CID15165577
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name3-(2-methylsulfanylethyl)-1H-quinazoline-2,4-dione
SMILESCSCCn1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C11H12N2O2S/c1-16-7-6-13-10(14)8-4-2-3-5-9(8)12-11(13)15/h2-5H,6-7H2,1H3,(H,12,15)
InChIKeyXSNFAXLWWRYLOK-UHFFFAOYSA-N
XLogP1.05
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylsulfanylethyl)-1H-quinazoline-2,4-dione?
The IUPAC name of 3-(2-methylsulfanylethyl)-1H-quinazoline-2,4-dione (CID 15165577) is 3-(2-methylsulfanylethyl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-(2-methylsulfanylethyl)-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-(2-methylsulfanylethyl)-1H-quinazoline-2,4-dione is CSCCn1c(=O)[nH]c2ccccc2c1=O.
What is the InChIKey of 3-(2-methylsulfanylethyl)-1H-quinazoline-2,4-dione?
The InChIKey is XSNFAXLWWRYLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-16-7-6-13-10(14)8-4-2-3-5-9(8)12-11(13)15/h2-5H,6-7H2,1H3,(H,12,15).
What are the key properties of 3-(2-methylsulfanylethyl)-1H-quinazoline-2,4-dione?
3-(2-methylsulfanylethyl)-1H-quinazoline-2,4-dione has a molecular weight of 236.30 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylsulfanylethyl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 15165577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).