(3,4-dibromothiophen-2-yl)-(3,5-dichlorophenyl)methanone

C11H4Br2Cl2OS — CID 79602734

IUPAC(3,4-dibromothiophen-2-yl)-(3,5-dichlorophenyl)methanone
SMILESO=C(c1cc(Cl)cc(Cl)c1)c1scc(Br)c1Br
InChIInChI=1S/C11H4Br2Cl2OS/c12-8-4-17-11(9(8)13)10(16)5-1-6(14)3-7(15)2-5/h1-4H
InChIKeyJXVVQNPJRAIBTH-UHFFFAOYSA-N
MW414.93 g/mol
LogP5.81
Rot. Bonds2

About (3,4-dibromothiophen-2-yl)-(3,5-dichlorophenyl)methanone

(3,4-dibromothiophen-2-yl)-(3,5-dichlorophenyl)methanone (PubChem CID 79602734) has the molecular formula C11H4Br2Cl2OS and a molecular weight of 414.93 g/mol. Its IUPAC name is (3,4-dibromothiophen-2-yl)-(3,5-dichlorophenyl)methanone.

Molecular Properties

Compound Name(3,4-dibromothiophen-2-yl)-(3,5-dichlorophenyl)methanone
PubChem CID79602734
Molecular FormulaC11H4Br2Cl2OS
Molecular Weight414.93 g/mol
Exact Mass411.77
IUPAC Name(3,4-dibromothiophen-2-yl)-(3,5-dichlorophenyl)methanone
SMILESO=C(c1cc(Cl)cc(Cl)c1)c1scc(Br)c1Br
InChIInChI=1S/C11H4Br2Cl2OS/c12-8-4-17-11(9(8)13)10(16)5-1-6(14)3-7(15)2-5/h1-4H
InChIKeyJXVVQNPJRAIBTH-UHFFFAOYSA-N
XLogP5.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.93
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,4-dibromothiophen-2-yl)-(3,5-dichlorophenyl)methanone?
The IUPAC name of (3,4-dibromothiophen-2-yl)-(3,5-dichlorophenyl)methanone (CID 79602734) is (3,4-dibromothiophen-2-yl)-(3,5-dichlorophenyl)methanone.
What is the SMILES notation for (3,4-dibromothiophen-2-yl)-(3,5-dichlorophenyl)methanone?
The canonical SMILES for (3,4-dibromothiophen-2-yl)-(3,5-dichlorophenyl)methanone is O=C(c1cc(Cl)cc(Cl)c1)c1scc(Br)c1Br.
What is the InChIKey of (3,4-dibromothiophen-2-yl)-(3,5-dichlorophenyl)methanone?
The InChIKey is JXVVQNPJRAIBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4Br2Cl2OS/c12-8-4-17-11(9(8)13)10(16)5-1-6(14)3-7(15)2-5/h1-4H.
What are the key properties of (3,4-dibromothiophen-2-yl)-(3,5-dichlorophenyl)methanone?
(3,4-dibromothiophen-2-yl)-(3,5-dichlorophenyl)methanone has a molecular weight of 414.93 g/mol, XLogP of 5.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dibromothiophen-2-yl)-(3,5-dichlorophenyl)methanone is sourced from PubChem (CID 79602734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).