6-bromo-4-(3-bromophenyl)sulfanylquinazoline

C14H8Br2N2S — CID 46879776

IUPAC6-bromo-4-(3-bromophenyl)sulfanylquinazoline
SMILESBrc1cccc(Sc2ncnc3ccc(Br)cc23)c1
InChIInChI=1S/C14H8Br2N2S/c15-9-2-1-3-11(6-9)19-14-12-7-10(16)4-5-13(12)17-8-18-14/h1-8H
InChIKeyAPOKQUAPTSDYSL-UHFFFAOYSA-N
MW396.11 g/mol
LogP5.31
Rot. Bonds2

About 6-bromo-4-(3-bromophenyl)sulfanylquinazoline

6-bromo-4-(3-bromophenyl)sulfanylquinazoline (PubChem CID 46879776) has the molecular formula C14H8Br2N2S and a molecular weight of 396.11 g/mol. Its IUPAC name is 6-bromo-4-(3-bromophenyl)sulfanylquinazoline.

Molecular Properties

Compound Name6-bromo-4-(3-bromophenyl)sulfanylquinazoline
PubChem CID46879776
Molecular FormulaC14H8Br2N2S
Molecular Weight396.11 g/mol
Exact Mass393.88
IUPAC Name6-bromo-4-(3-bromophenyl)sulfanylquinazoline
SMILESBrc1cccc(Sc2ncnc3ccc(Br)cc23)c1
InChIInChI=1S/C14H8Br2N2S/c15-9-2-1-3-11(6-9)19-14-12-7-10(16)4-5-13(12)17-8-18-14/h1-8H
InChIKeyAPOKQUAPTSDYSL-UHFFFAOYSA-N
XLogP5.31
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.11
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(3-bromophenyl)sulfanylquinazoline?
The IUPAC name of 6-bromo-4-(3-bromophenyl)sulfanylquinazoline (CID 46879776) is 6-bromo-4-(3-bromophenyl)sulfanylquinazoline.
What is the SMILES notation for 6-bromo-4-(3-bromophenyl)sulfanylquinazoline?
The canonical SMILES for 6-bromo-4-(3-bromophenyl)sulfanylquinazoline is Brc1cccc(Sc2ncnc3ccc(Br)cc23)c1.
What is the InChIKey of 6-bromo-4-(3-bromophenyl)sulfanylquinazoline?
The InChIKey is APOKQUAPTSDYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br2N2S/c15-9-2-1-3-11(6-9)19-14-12-7-10(16)4-5-13(12)17-8-18-14/h1-8H.
What are the key properties of 6-bromo-4-(3-bromophenyl)sulfanylquinazoline?
6-bromo-4-(3-bromophenyl)sulfanylquinazoline has a molecular weight of 396.11 g/mol, XLogP of 5.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-(3-bromophenyl)sulfanylquinazoline is sourced from PubChem (CID 46879776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).