6,8-dibromo-2-propan-2-yl-1H-quinazoline-4-thione

C11H10Br2N2S — CID 4664898

IUPAC6,8-dibromo-2-propan-2-yl-1H-quinazoline-4-thione
SMILESCC(C)c1nc(=S)c2cc(Br)cc(Br)c2[nH]1
InChIInChI=1S/C11H10Br2N2S/c1-5(2)10-14-9-7(11(16)15-10)3-6(12)4-8(9)13/h3-5H,1-2H3,(H,14,15,16)
InChIKeyTUZOQOFPCOSOQN-UHFFFAOYSA-N
MW362.09 g/mol
LogP4.94
Rot. Bonds1

About 6,8-dibromo-2-propan-2-yl-1H-quinazoline-4-thione

6,8-dibromo-2-propan-2-yl-1H-quinazoline-4-thione (PubChem CID 4664898) has the molecular formula C11H10Br2N2S and a molecular weight of 362.09 g/mol. Its IUPAC name is 6,8-dibromo-2-propan-2-yl-1H-quinazoline-4-thione.

Molecular Properties

Compound Name6,8-dibromo-2-propan-2-yl-1H-quinazoline-4-thione
PubChem CID4664898
Molecular FormulaC11H10Br2N2S
Molecular Weight362.09 g/mol
Exact Mass359.89
IUPAC Name6,8-dibromo-2-propan-2-yl-1H-quinazoline-4-thione
SMILESCC(C)c1nc(=S)c2cc(Br)cc(Br)c2[nH]1
InChIInChI=1S/C11H10Br2N2S/c1-5(2)10-14-9-7(11(16)15-10)3-6(12)4-8(9)13/h3-5H,1-2H3,(H,14,15,16)
InChIKeyTUZOQOFPCOSOQN-UHFFFAOYSA-N
XLogP4.94
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.09
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-Bromo-2-phenylquinazoline-4(3H)-thione
CID 921583
N,N''-Bis-(4-bromo-2-methyl-phenyl)-acetamidine
CID 15379806
6-bromo-2-methyl-1H-quinazoline-4-thione
CID 12664680
6-bromo-2-(trifluoromethyl)-1H-quinazoline-4-thione
CID 16770313
6-bromo-2-ethyl-8-fluoro-1H-quinazoline-4-thione
CID 106505622
6-bromo-8-fluoro-2-methyl-1H-quinazoline-4-thione
CID 106505623
5-bromo-2-ethyl-8-fluoro-1H-quinazoline-4-thione
CID 106505632
6-bromo-2-ethyl-7-fluoro-1H-quinazoline-4-thione
CID 106505640
6-bromo-7-fluoro-2-methyl-1H-quinazoline-4-thione
CID 106505641
N-(4-bromo-5-fluoro-2-methylphenyl)-2,3,4,5-tetrahydropyridin-6-amine
CID 116461120
2-(6-bromo-4-sulfanylidene-1H-quinazolin-2-yl)acetamide
CID 71035483
6-bromo-2-(3-methylbutyl)-1H-quinazoline-4-thione
CID 121255714

Frequently Asked Questions

What is the IUPAC name of 6,8-dibromo-2-propan-2-yl-1H-quinazoline-4-thione?
The IUPAC name of 6,8-dibromo-2-propan-2-yl-1H-quinazoline-4-thione (CID 4664898) is 6,8-dibromo-2-propan-2-yl-1H-quinazoline-4-thione.
What is the SMILES notation for 6,8-dibromo-2-propan-2-yl-1H-quinazoline-4-thione?
The canonical SMILES for 6,8-dibromo-2-propan-2-yl-1H-quinazoline-4-thione is CC(C)c1nc(=S)c2cc(Br)cc(Br)c2[nH]1.
What is the InChIKey of 6,8-dibromo-2-propan-2-yl-1H-quinazoline-4-thione?
The InChIKey is TUZOQOFPCOSOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2N2S/c1-5(2)10-14-9-7(11(16)15-10)3-6(12)4-8(9)13/h3-5H,1-2H3,(H,14,15,16).
What are the key properties of 6,8-dibromo-2-propan-2-yl-1H-quinazoline-4-thione?
6,8-dibromo-2-propan-2-yl-1H-quinazoline-4-thione has a molecular weight of 362.09 g/mol, XLogP of 4.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dibromo-2-propan-2-yl-1H-quinazoline-4-thione is sourced from PubChem (CID 4664898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).