1-(5-bromo-4-methylthiophen-2-yl)-3-thiophen-2-ylpropan-1-one

C12H11BrOS2 — CID 114973168

IUPAC1-(5-bromo-4-methylthiophen-2-yl)-3-thiophen-2-ylpropan-1-one
SMILESCc1cc(C(=O)CCc2cccs2)sc1Br
InChIInChI=1S/C12H11BrOS2/c1-8-7-11(16-12(8)13)10(14)5-4-9-3-2-6-15-9/h2-3,6-7H,4-5H2,1H3
InChIKeyRBYSVHWKVWKCLA-UHFFFAOYSA-N
MW315.26 g/mol
LogP4.70
Rot. Bonds4

About 1-(5-bromo-4-methylthiophen-2-yl)-3-thiophen-2-ylpropan-1-one

1-(5-bromo-4-methylthiophen-2-yl)-3-thiophen-2-ylpropan-1-one (PubChem CID 114973168) has the molecular formula C12H11BrOS2 and a molecular weight of 315.26 g/mol. Its IUPAC name is 1-(5-bromo-4-methylthiophen-2-yl)-3-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name1-(5-bromo-4-methylthiophen-2-yl)-3-thiophen-2-ylpropan-1-one
PubChem CID114973168
Molecular FormulaC12H11BrOS2
Molecular Weight315.26 g/mol
Exact Mass313.94
IUPAC Name1-(5-bromo-4-methylthiophen-2-yl)-3-thiophen-2-ylpropan-1-one
SMILESCc1cc(C(=O)CCc2cccs2)sc1Br
InChIInChI=1S/C12H11BrOS2/c1-8-7-11(16-12(8)13)10(14)5-4-9-3-2-6-15-9/h2-3,6-7H,4-5H2,1H3
InChIKeyRBYSVHWKVWKCLA-UHFFFAOYSA-N
XLogP4.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.26
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-2-methylphenyl)-3-thiophen-2-ylpropan-1-one
CID 114973264
1-(2,3-dimethylphenyl)-3-thiophen-2-ylpropan-1-one
CID 114973203
N-[(5-bromo-4-methylthiophen-2-yl)methyl]-1-thiophen-2-ylmethanamine
CID 79981814
1-(5-bromo-4-methylthiophen-2-yl)octan-1-one
CID 79997565
1-(5-bromo-4-methylthiophen-2-yl)-2-(2-bromophenyl)ethanone
CID 114962510
5-bromo-4-methyl-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide
CID 79931997
1-(2,5-dimethylpyrazol-3-yl)-3-thiophen-2-ylpropan-1-one
CID 105101493
1-(4-methoxyphenyl)-3-thiophen-2-ylpropan-1-one
CID 63774976
4,5-dibromo-N-ethyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 32581945
4-ethyl-4-hydroxy-1-thiophen-2-ylhexan-3-one
CID 103447105
1-(3,5-dichloro-2-pyridinyl)-3-thiophen-2-ylpropan-1-one
CID 79786683
1-(3,4-diethoxyphenyl)-3-thiophen-2-ylpropan-1-one
CID 114973274

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)-3-thiophen-2-ylpropan-1-one?
The IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)-3-thiophen-2-ylpropan-1-one (CID 114973168) is 1-(5-bromo-4-methylthiophen-2-yl)-3-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 1-(5-bromo-4-methylthiophen-2-yl)-3-thiophen-2-ylpropan-1-one?
The canonical SMILES for 1-(5-bromo-4-methylthiophen-2-yl)-3-thiophen-2-ylpropan-1-one is Cc1cc(C(=O)CCc2cccs2)sc1Br.
What is the InChIKey of 1-(5-bromo-4-methylthiophen-2-yl)-3-thiophen-2-ylpropan-1-one?
The InChIKey is RBYSVHWKVWKCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrOS2/c1-8-7-11(16-12(8)13)10(14)5-4-9-3-2-6-15-9/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 1-(5-bromo-4-methylthiophen-2-yl)-3-thiophen-2-ylpropan-1-one?
1-(5-bromo-4-methylthiophen-2-yl)-3-thiophen-2-ylpropan-1-one has a molecular weight of 315.26 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-methylthiophen-2-yl)-3-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 114973168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).