3,6-dimethyl-2-sulfanylidene-1H-quinazolin-4-one

C10H10N2OS — CID 18918914

IUPAC3,6-dimethyl-2-sulfanylidene-1H-quinazolin-4-one
SMILESCc1ccc2[nH]c(=S)n(C)c(=O)c2c1
InChIInChI=1S/C10H10N2OS/c1-6-3-4-8-7(5-6)9(13)12(2)10(14)11-8/h3-5H,1-2H3,(H,11,14)
InChIKeyFVXUYCAQINXRCR-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.90
Rot. Bonds

About 3,6-dimethyl-2-sulfanylidene-1H-quinazolin-4-one

3,6-dimethyl-2-sulfanylidene-1H-quinazolin-4-one (PubChem CID 18918914) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is 3,6-dimethyl-2-sulfanylidene-1H-quinazolin-4-one.

Molecular Properties

Compound Name3,6-dimethyl-2-sulfanylidene-1H-quinazolin-4-one
PubChem CID18918914
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name3,6-dimethyl-2-sulfanylidene-1H-quinazolin-4-one
SMILESCc1ccc2[nH]c(=S)n(C)c(=O)c2c1
InChIInChI=1S/C10H10N2OS/c1-6-3-4-8-7(5-6)9(13)12(2)10(14)11-8/h3-5H,1-2H3,(H,11,14)
InChIKeyFVXUYCAQINXRCR-UHFFFAOYSA-N
XLogP1.90
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-6-methyl-2-sulfanylidene-1H-quinazolin-4-one
CID 114588843
6-(dimethylamino)-3-methyl-2-sulfanylidene-1H-quinazolin-4-one
CID 114589080
3-butyl-6-methyl-2-sulfanylidene-1H-quinazolin-4-one
CID 90345979
6-methyl-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-4-one
CID 121002039
3-benzyl-6-methyl-2-sulfanylidene-1H-quinazolin-4-one
CID 20755130
3-(4-methoxyphenyl)-6-methyl-2-sulfanylidene-1H-quinazolin-4-one
CID 2731104
3-(4-methylphenyl)-6-[3-(4-methylphenyl)-4-oxo-2-sulfanylidene-1H-quinazolin-6-yl]-2-sulfanylidene-1H-quinazolin-4-one
CID 15133897
3-benzyl-6-methyl-2-sulfanylidene-1H-quinazolin-4-one;sulfur dioxide
CID 90764004
3-amino-8-methyl-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one
CID 53353029
2,7-dimethyl-10H-acridin-9-one
CID 13293445
methyl 4-(6-methyl-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzoate
CID 123434657
6-iodo-3-(4-methylphenyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 1387572

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-2-sulfanylidene-1H-quinazolin-4-one?
The IUPAC name of 3,6-dimethyl-2-sulfanylidene-1H-quinazolin-4-one (CID 18918914) is 3,6-dimethyl-2-sulfanylidene-1H-quinazolin-4-one.
What is the SMILES notation for 3,6-dimethyl-2-sulfanylidene-1H-quinazolin-4-one?
The canonical SMILES for 3,6-dimethyl-2-sulfanylidene-1H-quinazolin-4-one is Cc1ccc2[nH]c(=S)n(C)c(=O)c2c1.
What is the InChIKey of 3,6-dimethyl-2-sulfanylidene-1H-quinazolin-4-one?
The InChIKey is FVXUYCAQINXRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c1-6-3-4-8-7(5-6)9(13)12(2)10(14)11-8/h3-5H,1-2H3,(H,11,14).
What are the key properties of 3,6-dimethyl-2-sulfanylidene-1H-quinazolin-4-one?
3,6-dimethyl-2-sulfanylidene-1H-quinazolin-4-one has a molecular weight of 206.27 g/mol, XLogP of 1.90, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-2-sulfanylidene-1H-quinazolin-4-one is sourced from PubChem (CID 18918914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).