(4-bromo-5-methylthiophen-2-yl)-(3-ethylthiophen-2-yl)methanone

C12H11BrOS2 — CID 102826534

IUPAC(4-bromo-5-methylthiophen-2-yl)-(3-ethylthiophen-2-yl)methanone
SMILESCCc1ccsc1C(=O)c1cc(Br)c(C)s1
InChIInChI=1S/C12H11BrOS2/c1-3-8-4-5-15-12(8)11(14)10-6-9(13)7(2)16-10/h4-6H,3H2,1-2H3
InChIKeyXIVZZJXWFCKHKS-UHFFFAOYSA-N
MW315.26 g/mol
LogP4.67
Rot. Bonds3

About (4-bromo-5-methylthiophen-2-yl)-(3-ethylthiophen-2-yl)methanone

(4-bromo-5-methylthiophen-2-yl)-(3-ethylthiophen-2-yl)methanone (PubChem CID 102826534) has the molecular formula C12H11BrOS2 and a molecular weight of 315.26 g/mol. Its IUPAC name is (4-bromo-5-methylthiophen-2-yl)-(3-ethylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(4-bromo-5-methylthiophen-2-yl)-(3-ethylthiophen-2-yl)methanone
PubChem CID102826534
Molecular FormulaC12H11BrOS2
Molecular Weight315.26 g/mol
Exact Mass313.94
IUPAC Name(4-bromo-5-methylthiophen-2-yl)-(3-ethylthiophen-2-yl)methanone
SMILESCCc1ccsc1C(=O)c1cc(Br)c(C)s1
InChIInChI=1S/C12H11BrOS2/c1-3-8-4-5-15-12(8)11(14)10-6-9(13)7(2)16-10/h4-6H,3H2,1-2H3
InChIKeyXIVZZJXWFCKHKS-UHFFFAOYSA-N
XLogP4.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.26
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-5-methylthiophen-2-yl)-(3-iodothiophen-2-yl)methanone
CID 130576016
(4-bromo-5-methylthiophen-2-yl)-(5-ethylfuran-2-yl)methanone
CID 102826505
(4-bromo-2,5-difluorophenyl)-(3-ethylthiophen-2-yl)methanone
CID 79985948
(3-bromo-4-ethoxyphenyl)-(3-ethylthiophen-2-yl)methanone
CID 104656774
(4-bromo-3-methylphenyl)-(4-bromo-5-methylthiophen-2-yl)methanone
CID 102826520
(3-ethylthiophen-2-yl)-(5-methylfuran-2-yl)methanone
CID 79985780
(5-bromofuran-3-yl)-(4-bromo-5-methylthiophen-2-yl)methanone
CID 130770138
(3-ethylthiophen-2-yl)-(5-methyl-3-pyridinyl)methanone
CID 115791581
ethane;3-ethylthiophene-2-carboxylic acid
CID 142472678
2-(3-bromo-4-methoxyphenyl)-1-(3-ethylthiophen-2-yl)ethanone
CID 114964644
(4-bromo-5-methylthiophen-2-yl)-(4-methylsulfanylphenyl)methanone
CID 102826619
(4-bromo-5-methylthiophen-2-yl)-(furan-3-yl)methanone
CID 102826466

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-methylthiophen-2-yl)-(3-ethylthiophen-2-yl)methanone?
The IUPAC name of (4-bromo-5-methylthiophen-2-yl)-(3-ethylthiophen-2-yl)methanone (CID 102826534) is (4-bromo-5-methylthiophen-2-yl)-(3-ethylthiophen-2-yl)methanone.
What is the SMILES notation for (4-bromo-5-methylthiophen-2-yl)-(3-ethylthiophen-2-yl)methanone?
The canonical SMILES for (4-bromo-5-methylthiophen-2-yl)-(3-ethylthiophen-2-yl)methanone is CCc1ccsc1C(=O)c1cc(Br)c(C)s1.
What is the InChIKey of (4-bromo-5-methylthiophen-2-yl)-(3-ethylthiophen-2-yl)methanone?
The InChIKey is XIVZZJXWFCKHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrOS2/c1-3-8-4-5-15-12(8)11(14)10-6-9(13)7(2)16-10/h4-6H,3H2,1-2H3.
What are the key properties of (4-bromo-5-methylthiophen-2-yl)-(3-ethylthiophen-2-yl)methanone?
(4-bromo-5-methylthiophen-2-yl)-(3-ethylthiophen-2-yl)methanone has a molecular weight of 315.26 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-methylthiophen-2-yl)-(3-ethylthiophen-2-yl)methanone is sourced from PubChem (CID 102826534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).