(3-bromothiophen-2-yl)-(5-chlorothiophen-2-yl)methanone

C9H4BrClOS2 — CID 63797030

IUPAC(3-bromothiophen-2-yl)-(5-chlorothiophen-2-yl)methanone
SMILESO=C(c1ccc(Cl)s1)c1sccc1Br
InChIInChI=1S/C9H4BrClOS2/c10-5-3-4-13-9(5)8(12)6-1-2-7(11)14-6/h1-4H
InChIKeyHDFWXSOBXIAALU-UHFFFAOYSA-N
MW307.62 g/mol
LogP4.46
Rot. Bonds2

About (3-bromothiophen-2-yl)-(5-chlorothiophen-2-yl)methanone

(3-bromothiophen-2-yl)-(5-chlorothiophen-2-yl)methanone (PubChem CID 63797030) has the molecular formula C9H4BrClOS2 and a molecular weight of 307.62 g/mol. Its IUPAC name is (3-bromothiophen-2-yl)-(5-chlorothiophen-2-yl)methanone.

Molecular Properties

Compound Name(3-bromothiophen-2-yl)-(5-chlorothiophen-2-yl)methanone
PubChem CID63797030
Molecular FormulaC9H4BrClOS2
Molecular Weight307.62 g/mol
Exact Mass305.86
IUPAC Name(3-bromothiophen-2-yl)-(5-chlorothiophen-2-yl)methanone
SMILESO=C(c1ccc(Cl)s1)c1sccc1Br
InChIInChI=1S/C9H4BrClOS2/c10-5-3-4-13-9(5)8(12)6-1-2-7(11)14-6/h1-4H
InChIKeyHDFWXSOBXIAALU-UHFFFAOYSA-N
XLogP4.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.62
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chlorothiophen-2-yl)-(3-methylthiophen-2-yl)methanone
CID 43463073
3-bromothiophene-2-carbonyl chloride
CID 2797569
(3-bromo-4-chlorophenyl)-(3-bromothiophen-2-yl)methanone
CID 115566211
(3-bromothiophen-2-yl)-(2-chlorofuran-3-yl)methanone
CID 106683861
(3-bromothiophen-2-yl)-(4-methoxythiophen-2-yl)methanone
CID 81127058
(3-bromo-5-methylthiophen-2-yl)-(3-bromothiophen-2-yl)methanone
CID 65279746
(3-bromothiophen-2-yl)-(3-chloro-2-methylphenyl)methanone
CID 107096206
(4-bromo-2-chlorophenyl)-(5-chlorothiophen-2-yl)methanone
CID 43805082
5-chlorothiophene-2-carbonyl fluoride
CID 119084238
3-bromo-N-hydroxythiophene-2-carboxamide;hydrochloride
CID 88521756
(5-bromo-4-methylthiophen-2-yl)-(3-chlorothiophen-2-yl)methanone
CID 80530149
1-(3-chlorothiophen-2-yl)-2-(5-chlorothiophen-2-yl)ethanone
CID 114967489

Frequently Asked Questions

What is the IUPAC name of (3-bromothiophen-2-yl)-(5-chlorothiophen-2-yl)methanone?
The IUPAC name of (3-bromothiophen-2-yl)-(5-chlorothiophen-2-yl)methanone (CID 63797030) is (3-bromothiophen-2-yl)-(5-chlorothiophen-2-yl)methanone.
What is the SMILES notation for (3-bromothiophen-2-yl)-(5-chlorothiophen-2-yl)methanone?
The canonical SMILES for (3-bromothiophen-2-yl)-(5-chlorothiophen-2-yl)methanone is O=C(c1ccc(Cl)s1)c1sccc1Br.
What is the InChIKey of (3-bromothiophen-2-yl)-(5-chlorothiophen-2-yl)methanone?
The InChIKey is HDFWXSOBXIAALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrClOS2/c10-5-3-4-13-9(5)8(12)6-1-2-7(11)14-6/h1-4H.
What are the key properties of (3-bromothiophen-2-yl)-(5-chlorothiophen-2-yl)methanone?
(3-bromothiophen-2-yl)-(5-chlorothiophen-2-yl)methanone has a molecular weight of 307.62 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromothiophen-2-yl)-(5-chlorothiophen-2-yl)methanone is sourced from PubChem (CID 63797030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).