4-hydroxy-3,4-dihydro-1H-quinazoline-2-thione

C8H8N2OS — CID 22758102

IUPAC4-hydroxy-3,4-dihydro-1H-quinazoline-2-thione
SMILESOC1NC(=S)Nc2ccccc21
InChIInChI=1S/C8H8N2OS/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h1-4,7,11H,(H2,9,10,12)
InChIKeySHOLLHOJKVGMQL-UHFFFAOYSA-N
MW180.23 g/mol
LogP0.98
Rot. Bonds

About 4-hydroxy-3,4-dihydro-1H-quinazoline-2-thione

4-hydroxy-3,4-dihydro-1H-quinazoline-2-thione (PubChem CID 22758102) has the molecular formula C8H8N2OS and a molecular weight of 180.23 g/mol. Its IUPAC name is 4-hydroxy-3,4-dihydro-1H-quinazoline-2-thione.

Molecular Properties

Compound Name4-hydroxy-3,4-dihydro-1H-quinazoline-2-thione
PubChem CID22758102
Molecular FormulaC8H8N2OS
Molecular Weight180.23 g/mol
Exact Mass180.04
IUPAC Name4-hydroxy-3,4-dihydro-1H-quinazoline-2-thione
SMILESOC1NC(=S)Nc2ccccc21
InChIInChI=1S/C8H8N2OS/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h1-4,7,11H,(H2,9,10,12)
InChIKeySHOLLHOJKVGMQL-UHFFFAOYSA-N
XLogP0.98
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-Hydroxymethyl-phenyl)-thiourea
CID 46889267
N-(2-Hydroxy-2-phenylethyl)-N'-phenylthiourea
CID 2873543
1-Cyclohexyl-3-(2-hydroxymethyl-phenyl)-urea
CID 4550519
4-(3-hydroxy-3-phenylpropyl)-N-phenylpiperazine-1-carbothioamide
CID 122188712
1,2,3,4-Tetrahydroquinolin-4-ol
CID 287390
[2-({[Benzylamino]thioxomethyl}amino)phenyl]methan-1-ol
CID 2462690
Thiourea, N-(4-fluorophenyl)-N'-(2-hydroxy-2-phenylethyl)-
CID 2918353
1-[3-(2-Aminophenyl)-3-hydroxypropyl]-3-ethylthiourea
CID 127047072
1-[3-(2-Aminophenyl)-3-hydroxypropyl]-3-methylthiourea
CID 127047755
1-[3-(2-Aminophenyl)-3-hydroxypropyl]-3-propylthiourea
CID 127048125
1,2,3,4-Tetrahydro-2-methyl-4-quinolinol
CID 147634
1-(3-Hydroxymethylphenyl)-3-(2,2,2-trifluoroethyl)thiourea
CID 21298721

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3,4-dihydro-1H-quinazoline-2-thione?
The IUPAC name of 4-hydroxy-3,4-dihydro-1H-quinazoline-2-thione (CID 22758102) is 4-hydroxy-3,4-dihydro-1H-quinazoline-2-thione.
What is the SMILES notation for 4-hydroxy-3,4-dihydro-1H-quinazoline-2-thione?
The canonical SMILES for 4-hydroxy-3,4-dihydro-1H-quinazoline-2-thione is OC1NC(=S)Nc2ccccc21.
What is the InChIKey of 4-hydroxy-3,4-dihydro-1H-quinazoline-2-thione?
The InChIKey is SHOLLHOJKVGMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2OS/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h1-4,7,11H,(H2,9,10,12).
What are the key properties of 4-hydroxy-3,4-dihydro-1H-quinazoline-2-thione?
4-hydroxy-3,4-dihydro-1H-quinazoline-2-thione has a molecular weight of 180.23 g/mol, XLogP of 0.98, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3,4-dihydro-1H-quinazoline-2-thione is sourced from PubChem (CID 22758102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).