1-(5-bromothiophen-2-yl)-2-thiophen-2-ylsulfanylethanone

C10H7BrOS3 — CID 43801859

IUPAC1-(5-bromothiophen-2-yl)-2-thiophen-2-ylsulfanylethanone
SMILESO=C(CSc1cccs1)c1ccc(Br)s1
InChIInChI=1S/C10H7BrOS3/c11-9-4-3-8(15-9)7(12)6-14-10-2-1-5-13-10/h1-5H,6H2
InChIKeyCMAQSPAKIRQXQU-UHFFFAOYSA-N
MW319.27 g/mol
LogP4.55
Rot. Bonds4

About 1-(5-bromothiophen-2-yl)-2-thiophen-2-ylsulfanylethanone

1-(5-bromothiophen-2-yl)-2-thiophen-2-ylsulfanylethanone (PubChem CID 43801859) has the molecular formula C10H7BrOS3 and a molecular weight of 319.27 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-2-thiophen-2-ylsulfanylethanone.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-2-thiophen-2-ylsulfanylethanone
PubChem CID43801859
Molecular FormulaC10H7BrOS3
Molecular Weight319.27 g/mol
Exact Mass317.88
IUPAC Name1-(5-bromothiophen-2-yl)-2-thiophen-2-ylsulfanylethanone
SMILESO=C(CSc1cccs1)c1ccc(Br)s1
InChIInChI=1S/C10H7BrOS3/c11-9-4-3-8(15-9)7(12)6-14-10-2-1-5-13-10/h1-5H,6H2
InChIKeyCMAQSPAKIRQXQU-UHFFFAOYSA-N
XLogP4.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.27
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenyl)sulfanyl-1-(5-bromothiophen-2-yl)ethanone
CID 43412629
1-thiophen-2-ylsulfanylpropan-2-one
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1-(5-bromothiophen-2-yl)-2-(5-methylpyrimidin-2-yl)sulfanylethanone
CID 60971828
1-(5-bromothiophen-2-yl)-3-hydroxypropan-1-one
CID 82291001
1-(5-bromothiophen-2-yl)-2-(3,4-difluorophenyl)sulfanylethanone
CID 43224922
2-(thiophen-2-ylsulfanylmethyl)prop-2-enoic acid
CID 21268829
N-(4-bromophenyl)-2-thiophen-2-ylsulfanylacetamide
CID 3334524
1-(5-bromothiophen-2-yl)-4-hydroxybutan-1-one
CID 82119052
1-(2-methoxy-4-methylphenyl)-2-thiophen-2-ylsulfanylethanone
CID 43801932
1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-thiophen-2-ylsulfanylethanone
CID 43801933
2-[[5-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-1-thiophen-2-ylethanone
CID 2414449
1-(5-bromothiophen-2-yl)butane-1,3-dione
CID 42614631

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-2-thiophen-2-ylsulfanylethanone?
The IUPAC name of 1-(5-bromothiophen-2-yl)-2-thiophen-2-ylsulfanylethanone (CID 43801859) is 1-(5-bromothiophen-2-yl)-2-thiophen-2-ylsulfanylethanone.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-2-thiophen-2-ylsulfanylethanone?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-2-thiophen-2-ylsulfanylethanone is O=C(CSc1cccs1)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-2-thiophen-2-ylsulfanylethanone?
The InChIKey is CMAQSPAKIRQXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrOS3/c11-9-4-3-8(15-9)7(12)6-14-10-2-1-5-13-10/h1-5H,6H2.
What are the key properties of 1-(5-bromothiophen-2-yl)-2-thiophen-2-ylsulfanylethanone?
1-(5-bromothiophen-2-yl)-2-thiophen-2-ylsulfanylethanone has a molecular weight of 319.27 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-2-thiophen-2-ylsulfanylethanone is sourced from PubChem (CID 43801859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).