5-hydroxy-1H-quinazoline-2-thione

C8H6N2OS — CID 156598302

IUPAC5-hydroxy-1H-quinazoline-2-thione
SMILESOc1cccc2[nH]c(=S)ncc12
InChIInChI=1S/C8H6N2OS/c11-7-3-1-2-6-5(7)4-9-8(12)10-6/h1-4,11H,(H,9,10,12)
InChIKeyFJOYPLOKVDIZOI-UHFFFAOYSA-N
MW178.22 g/mol
LogP2.00
Rot. Bonds

About 5-hydroxy-1H-quinazoline-2-thione

5-hydroxy-1H-quinazoline-2-thione (PubChem CID 156598302) has the molecular formula C8H6N2OS and a molecular weight of 178.22 g/mol. Its IUPAC name is 5-hydroxy-1H-quinazoline-2-thione.

Molecular Properties

Compound Name5-hydroxy-1H-quinazoline-2-thione
PubChem CID156598302
Molecular FormulaC8H6N2OS
Molecular Weight178.22 g/mol
Exact Mass178.02
IUPAC Name5-hydroxy-1H-quinazoline-2-thione
SMILESOc1cccc2[nH]c(=S)ncc12
InChIInChI=1S/C8H6N2OS/c11-7-3-1-2-6-5(7)4-9-8(12)10-6/h1-4,11H,(H,9,10,12)
InChIKeyFJOYPLOKVDIZOI-UHFFFAOYSA-N
XLogP2.00
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.22
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

potassium;hydride;hydron;1H-quinazoline-2-thione
CID 174528479
9-hydroxy-1,10-dihydropyrimido[5,4-b][1,4]benzoxazine-2-thione
CID 121427855
1H-indol-4-ol
CID 102220556
6-(4-hydroxy-1H-indol-2-yl)pyridine-3-carboxylic acid
CID 136986560
2-(trifluoromethyl)-1H-indol-4-ol
CID 67244990
2-oxo-1H-quinazoline-5-carboxylic acid
CID 175870043
5-methyl-1H-quinazolin-2-one
CID 90281623
2-(4-amino-1,2-oxazol-5-yl)-1H-indol-4-ol
CID 137016964
5-methyl-1H-pyrimido[4,5-b]quinoline-2-thione
CID 10577431
2-(4-amino-1-methylpyrazol-5-yl)-1H-indol-4-ol
CID 136986499
4-(naphthalen-1-ylamino)-1H-quinazoline-2-thione
CID 2755103
7,9-dihydro-3H-purine-2,8-dithione
CID 3356743

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1H-quinazoline-2-thione?
The IUPAC name of 5-hydroxy-1H-quinazoline-2-thione (CID 156598302) is 5-hydroxy-1H-quinazoline-2-thione.
What is the SMILES notation for 5-hydroxy-1H-quinazoline-2-thione?
The canonical SMILES for 5-hydroxy-1H-quinazoline-2-thione is Oc1cccc2[nH]c(=S)ncc12.
What is the InChIKey of 5-hydroxy-1H-quinazoline-2-thione?
The InChIKey is FJOYPLOKVDIZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2OS/c11-7-3-1-2-6-5(7)4-9-8(12)10-6/h1-4,11H,(H,9,10,12).
What are the key properties of 5-hydroxy-1H-quinazoline-2-thione?
5-hydroxy-1H-quinazoline-2-thione has a molecular weight of 178.22 g/mol, XLogP of 2.00, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1H-quinazoline-2-thione is sourced from PubChem (CID 156598302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).