(4-bromo-5-chlorothiophen-2-yl)-(2,6-dichlorophenyl)methanone

C11H4BrCl3OS — CID 102826843

IUPAC(4-bromo-5-chlorothiophen-2-yl)-(2,6-dichlorophenyl)methanone
SMILESO=C(c1cc(Br)c(Cl)s1)c1c(Cl)cccc1Cl
InChIInChI=1S/C11H4BrCl3OS/c12-5-4-8(17-11(5)15)10(16)9-6(13)2-1-3-7(9)14/h1-4H
InChIKeyAHWVUAUNXPDSTF-UHFFFAOYSA-N
MW370.48 g/mol
LogP5.70
Rot. Bonds2

About (4-bromo-5-chlorothiophen-2-yl)-(2,6-dichlorophenyl)methanone

(4-bromo-5-chlorothiophen-2-yl)-(2,6-dichlorophenyl)methanone (PubChem CID 102826843) has the molecular formula C11H4BrCl3OS and a molecular weight of 370.48 g/mol. Its IUPAC name is (4-bromo-5-chlorothiophen-2-yl)-(2,6-dichlorophenyl)methanone.

Molecular Properties

Compound Name(4-bromo-5-chlorothiophen-2-yl)-(2,6-dichlorophenyl)methanone
PubChem CID102826843
Molecular FormulaC11H4BrCl3OS
Molecular Weight370.48 g/mol
Exact Mass367.82
IUPAC Name(4-bromo-5-chlorothiophen-2-yl)-(2,6-dichlorophenyl)methanone
SMILESO=C(c1cc(Br)c(Cl)s1)c1c(Cl)cccc1Cl
InChIInChI=1S/C11H4BrCl3OS/c12-5-4-8(17-11(5)15)10(16)9-6(13)2-1-3-7(9)14/h1-4H
InChIKeyAHWVUAUNXPDSTF-UHFFFAOYSA-N
XLogP5.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.48
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-amino-6-methylphenyl)-(4-bromo-5-chlorothiophen-2-yl)methanone
CID 102837614
(4-bromo-5-chlorothiophen-2-yl)-phenylmethanone
CID 102826743
(4-bromo-5-chlorothiophen-2-yl)-(2,5-dibromophenyl)methanone
CID 102826777
(4-aminophenyl)-(4-bromo-5-chlorothiophen-2-yl)methanone
CID 102837635
(4-bromo-5-methylthiophen-2-yl)-(3-chloro-2-methylphenyl)methanone
CID 107096238
(3-amino-5-chlorophenyl)-(4-bromo-5-chlorothiophen-2-yl)methanone
CID 102837630
(4,5-dibromothiophen-2-yl)-(2,5-dichlorophenyl)methanone
CID 80532703
(5-bromo-4-chlorothiophen-2-yl)-(2-fluoro-6-methoxyphenyl)methanone
CID 80531764
(3-chloro-2-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
CID 102763206
(5-bromo-4-methylthiophen-2-yl)-(3-chloro-2-methylphenyl)methanone
CID 107096198
(5-bromo-4-chlorothiophen-2-yl)-(3-chlorophenyl)methanone
CID 80531681
tert-butyl 4-bromo-5-chlorothiophene-2-carboxylate
CID 119081516

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-chlorothiophen-2-yl)-(2,6-dichlorophenyl)methanone?
The IUPAC name of (4-bromo-5-chlorothiophen-2-yl)-(2,6-dichlorophenyl)methanone (CID 102826843) is (4-bromo-5-chlorothiophen-2-yl)-(2,6-dichlorophenyl)methanone.
What is the SMILES notation for (4-bromo-5-chlorothiophen-2-yl)-(2,6-dichlorophenyl)methanone?
The canonical SMILES for (4-bromo-5-chlorothiophen-2-yl)-(2,6-dichlorophenyl)methanone is O=C(c1cc(Br)c(Cl)s1)c1c(Cl)cccc1Cl.
What is the InChIKey of (4-bromo-5-chlorothiophen-2-yl)-(2,6-dichlorophenyl)methanone?
The InChIKey is AHWVUAUNXPDSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4BrCl3OS/c12-5-4-8(17-11(5)15)10(16)9-6(13)2-1-3-7(9)14/h1-4H.
What are the key properties of (4-bromo-5-chlorothiophen-2-yl)-(2,6-dichlorophenyl)methanone?
(4-bromo-5-chlorothiophen-2-yl)-(2,6-dichlorophenyl)methanone has a molecular weight of 370.48 g/mol, XLogP of 5.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-chlorothiophen-2-yl)-(2,6-dichlorophenyl)methanone is sourced from PubChem (CID 102826843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).