4-(2-methylsulfonylethylsulfanyl)quinazoline

C11H12N2O2S2 — CID 47096866

IUPAC4-(2-methylsulfonylethylsulfanyl)quinazoline
SMILESCS(=O)(=O)CCSc1ncnc2ccccc12
InChIInChI=1S/C11H12N2O2S2/c1-17(14,15)7-6-16-11-9-4-2-3-5-10(9)12-8-13-11/h2-5,8H,6-7H2,1H3
InChIKeyUZQQPFXOAPIZAN-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.77
Rot. Bonds4

About 4-(2-methylsulfonylethylsulfanyl)quinazoline

4-(2-methylsulfonylethylsulfanyl)quinazoline (PubChem CID 47096866) has the molecular formula C11H12N2O2S2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-(2-methylsulfonylethylsulfanyl)quinazoline.

Molecular Properties

Compound Name4-(2-methylsulfonylethylsulfanyl)quinazoline
PubChem CID47096866
Molecular FormulaC11H12N2O2S2
Molecular Weight268.36 g/mol
Exact Mass268.03
IUPAC Name4-(2-methylsulfonylethylsulfanyl)quinazoline
SMILESCS(=O)(=O)CCSc1ncnc2ccccc12
InChIInChI=1S/C11H12N2O2S2/c1-17(14,15)7-6-16-11-9-4-2-3-5-10(9)12-8-13-11/h2-5,8H,6-7H2,1H3
InChIKeyUZQQPFXOAPIZAN-UHFFFAOYSA-N
XLogP1.77
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylsulfonylethylsulfanyl)quinazoline?
The IUPAC name of 4-(2-methylsulfonylethylsulfanyl)quinazoline (CID 47096866) is 4-(2-methylsulfonylethylsulfanyl)quinazoline.
What is the SMILES notation for 4-(2-methylsulfonylethylsulfanyl)quinazoline?
The canonical SMILES for 4-(2-methylsulfonylethylsulfanyl)quinazoline is CS(=O)(=O)CCSc1ncnc2ccccc12.
What is the InChIKey of 4-(2-methylsulfonylethylsulfanyl)quinazoline?
The InChIKey is UZQQPFXOAPIZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S2/c1-17(14,15)7-6-16-11-9-4-2-3-5-10(9)12-8-13-11/h2-5,8H,6-7H2,1H3.
What are the key properties of 4-(2-methylsulfonylethylsulfanyl)quinazoline?
4-(2-methylsulfonylethylsulfanyl)quinazoline has a molecular weight of 268.36 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylsulfonylethylsulfanyl)quinazoline is sourced from PubChem (CID 47096866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).