1,3-bis(5-bromothiophen-2-yl)propan-1-one

C11H8Br2OS2 — CID 71671757

IUPAC1,3-bis(5-bromothiophen-2-yl)propan-1-one
SMILESO=C(CCc1ccc(Br)s1)c1ccc(Br)s1
InChIInChI=1S/C11H8Br2OS2/c12-10-5-2-7(15-10)1-3-8(14)9-4-6-11(13)16-9/h2,4-6H,1,3H2
InChIKeyGWCQCDBJNSINRG-UHFFFAOYSA-N
MW380.13 g/mol
LogP5.15
Rot. Bonds4

About 1,3-bis(5-bromothiophen-2-yl)propan-1-one

1,3-bis(5-bromothiophen-2-yl)propan-1-one (PubChem CID 71671757) has the molecular formula C11H8Br2OS2 and a molecular weight of 380.13 g/mol. Its IUPAC name is 1,3-bis(5-bromothiophen-2-yl)propan-1-one.

Molecular Properties

Compound Name1,3-bis(5-bromothiophen-2-yl)propan-1-one
PubChem CID71671757
Molecular FormulaC11H8Br2OS2
Molecular Weight380.13 g/mol
Exact Mass377.84
IUPAC Name1,3-bis(5-bromothiophen-2-yl)propan-1-one
SMILESO=C(CCc1ccc(Br)s1)c1ccc(Br)s1
InChIInChI=1S/C11H8Br2OS2/c12-10-5-2-7(15-10)1-3-8(14)9-4-6-11(13)16-9/h2,4-6H,1,3H2
InChIKeyGWCQCDBJNSINRG-UHFFFAOYSA-N
XLogP5.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.13
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 82291001
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CID 103007478
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CID 82124402
3-(5-bromothiophen-2-yl)-N'-methylpropanehydrazide
CID 116846336
1-(5-bromothiophen-2-yl)butane-1,3-dione
CID 42614631
1-(5-bromothiophen-2-yl)-3-[2-(2-hydroxyethylamino)ethylamino]propan-1-one
CID 70926570
1-(5-bromothiophen-2-yl)-3-cyclopentylpropan-1-one
CID 61103392
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CID 64520932

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(5-bromothiophen-2-yl)propan-1-one?
The IUPAC name of 1,3-bis(5-bromothiophen-2-yl)propan-1-one (CID 71671757) is 1,3-bis(5-bromothiophen-2-yl)propan-1-one.
What is the SMILES notation for 1,3-bis(5-bromothiophen-2-yl)propan-1-one?
The canonical SMILES for 1,3-bis(5-bromothiophen-2-yl)propan-1-one is O=C(CCc1ccc(Br)s1)c1ccc(Br)s1.
What is the InChIKey of 1,3-bis(5-bromothiophen-2-yl)propan-1-one?
The InChIKey is GWCQCDBJNSINRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2OS2/c12-10-5-2-7(15-10)1-3-8(14)9-4-6-11(13)16-9/h2,4-6H,1,3H2.
What are the key properties of 1,3-bis(5-bromothiophen-2-yl)propan-1-one?
1,3-bis(5-bromothiophen-2-yl)propan-1-one has a molecular weight of 380.13 g/mol, XLogP of 5.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(5-bromothiophen-2-yl)propan-1-one is sourced from PubChem (CID 71671757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).