2-ethylsulfanyl-3H-quinazolin-4-one

C10H10N2OS — CID 135435974

IUPAC2-ethylsulfanyl-3H-quinazolin-4-one
SMILESCCSc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C10H10N2OS/c1-2-14-10-11-8-6-4-3-5-7(8)9(13)12-10/h3-6H,2H2,1H3,(H,11,12,13)
InChIKeyMWARAOPWFPYGLV-UHFFFAOYSA-N
MW206.27 g/mol
LogP2.04
Rot. Bonds2

About 2-ethylsulfanyl-3H-quinazolin-4-one

2-ethylsulfanyl-3H-quinazolin-4-one (PubChem CID 135435974) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is 2-ethylsulfanyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-ethylsulfanyl-3H-quinazolin-4-one
PubChem CID135435974
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name2-ethylsulfanyl-3H-quinazolin-4-one
SMILESCCSc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C10H10N2OS/c1-2-14-10-11-8-6-4-3-5-7(8)9(13)12-10/h3-6H,2H2,1H3,(H,11,12,13)
InChIKeyMWARAOPWFPYGLV-UHFFFAOYSA-N
XLogP2.04
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-3H-quinazolin-4-one?
The IUPAC name of 2-ethylsulfanyl-3H-quinazolin-4-one (CID 135435974) is 2-ethylsulfanyl-3H-quinazolin-4-one.
What is the SMILES notation for 2-ethylsulfanyl-3H-quinazolin-4-one?
The canonical SMILES for 2-ethylsulfanyl-3H-quinazolin-4-one is CCSc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-ethylsulfanyl-3H-quinazolin-4-one?
The InChIKey is MWARAOPWFPYGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c1-2-14-10-11-8-6-4-3-5-7(8)9(13)12-10/h3-6H,2H2,1H3,(H,11,12,13).
What are the key properties of 2-ethylsulfanyl-3H-quinazolin-4-one?
2-ethylsulfanyl-3H-quinazolin-4-one has a molecular weight of 206.27 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-3H-quinazolin-4-one is sourced from PubChem (CID 135435974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).