2,8-dimethyl-1H-quinazoline-4-thione

C10H10N2S — CID 106505540

IUPAC2,8-dimethyl-1H-quinazoline-4-thione
SMILESCc1nc(=S)c2cccc(C)c2[nH]1
InChIInChI=1S/C10H10N2S/c1-6-4-3-5-8-9(6)11-7(2)12-10(8)13/h3-5H,1-2H3,(H,11,12,13)
InChIKeyJSSUCUDYZKMNBA-UHFFFAOYSA-N
MW190.27 g/mol
LogP2.91
Rot. Bonds

About 2,8-dimethyl-1H-quinazoline-4-thione

2,8-dimethyl-1H-quinazoline-4-thione (PubChem CID 106505540) has the molecular formula C10H10N2S and a molecular weight of 190.27 g/mol. Its IUPAC name is 2,8-dimethyl-1H-quinazoline-4-thione.

Molecular Properties

Compound Name2,8-dimethyl-1H-quinazoline-4-thione
PubChem CID106505540
Molecular FormulaC10H10N2S
Molecular Weight190.27 g/mol
Exact Mass190.06
IUPAC Name2,8-dimethyl-1H-quinazoline-4-thione
SMILESCc1nc(=S)c2cccc(C)c2[nH]1
InChIInChI=1S/C10H10N2S/c1-6-4-3-5-8-9(6)11-7(2)12-10(8)13/h3-5H,1-2H3,(H,11,12,13)
InChIKeyJSSUCUDYZKMNBA-UHFFFAOYSA-N
XLogP2.91
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-1H-quinazoline-4-thione?
The IUPAC name of 2,8-dimethyl-1H-quinazoline-4-thione (CID 106505540) is 2,8-dimethyl-1H-quinazoline-4-thione.
What is the SMILES notation for 2,8-dimethyl-1H-quinazoline-4-thione?
The canonical SMILES for 2,8-dimethyl-1H-quinazoline-4-thione is Cc1nc(=S)c2cccc(C)c2[nH]1.
What is the InChIKey of 2,8-dimethyl-1H-quinazoline-4-thione?
The InChIKey is JSSUCUDYZKMNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2S/c1-6-4-3-5-8-9(6)11-7(2)12-10(8)13/h3-5H,1-2H3,(H,11,12,13).
What are the key properties of 2,8-dimethyl-1H-quinazoline-4-thione?
2,8-dimethyl-1H-quinazoline-4-thione has a molecular weight of 190.27 g/mol, XLogP of 2.91, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-1H-quinazoline-4-thione is sourced from PubChem (CID 106505540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).