2-(4-bromophenyl)sulfanyl-1-(4-bromothiophen-3-yl)ethanol

C12H10Br2OS2 — CID 79596174

IUPAC2-(4-bromophenyl)sulfanyl-1-(4-bromothiophen-3-yl)ethanol
SMILESOC(CSc1ccc(Br)cc1)c1cscc1Br
InChIInChI=1S/C12H10Br2OS2/c13-8-1-3-9(4-2-8)17-7-12(15)10-5-16-6-11(10)14/h1-6,12,15H,7H2
InChIKeyKQXKGPXVLWRHNY-UHFFFAOYSA-N
MW394.15 g/mol
LogP5.10
Rot. Bonds4

About 2-(4-bromophenyl)sulfanyl-1-(4-bromothiophen-3-yl)ethanol

2-(4-bromophenyl)sulfanyl-1-(4-bromothiophen-3-yl)ethanol (PubChem CID 79596174) has the molecular formula C12H10Br2OS2 and a molecular weight of 394.15 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-1-(4-bromothiophen-3-yl)ethanol.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-1-(4-bromothiophen-3-yl)ethanol
PubChem CID79596174
Molecular FormulaC12H10Br2OS2
Molecular Weight394.15 g/mol
Exact Mass391.85
IUPAC Name2-(4-bromophenyl)sulfanyl-1-(4-bromothiophen-3-yl)ethanol
SMILESOC(CSc1ccc(Br)cc1)c1cscc1Br
InChIInChI=1S/C12H10Br2OS2/c13-8-1-3-9(4-2-8)17-7-12(15)10-5-16-6-11(10)14/h1-6,12,15H,7H2
InChIKeyKQXKGPXVLWRHNY-UHFFFAOYSA-N
XLogP5.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.15
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-bromophenyl)sulfanyl-1-(4-bromothiophen-3-yl)ethyl]hydrazine
CID 105235884
2-(4-bromophenyl)sulfanyl-1-(2,3-dimethylphenyl)ethanol
CID 66056466
1-(4-bromothiophen-3-yl)-2-(4-fluorophenyl)sulfanylethanamine
CID 79601723
2-(4-bromophenyl)sulfanyl-1-(4-chlorophenyl)ethanol
CID 11843613
1-(4-bromothiophen-3-yl)-2-phenylethanol
CID 79596144
2-(4-bromophenyl)sulfanyl-1-isoquinolin-4-ylethanol
CID 66056672
1-(2-amino-5-chloro-3-pyridinyl)-2-(4-bromophenyl)sulfanylethanol
CID 66056077
2-(4-bromophenyl)sulfanyl-1-(5-chloro-2-methoxyphenyl)ethanol
CID 66056664
1-(4-bromophenyl)sulfanyl-3,3-dimethylbutan-2-ol
CID 60728564
1-(4-bromothiophen-3-yl)-2-naphthalen-2-ylethanol
CID 105113172
1-(4-bromothiophen-3-yl)-2-(4-methylphenyl)ethanol
CID 79595189
2-(4-bromophenyl)sulfanyl-1-pyrazin-2-ylethanol
CID 66054291

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-1-(4-bromothiophen-3-yl)ethanol?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-1-(4-bromothiophen-3-yl)ethanol (CID 79596174) is 2-(4-bromophenyl)sulfanyl-1-(4-bromothiophen-3-yl)ethanol.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-1-(4-bromothiophen-3-yl)ethanol?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-1-(4-bromothiophen-3-yl)ethanol is OC(CSc1ccc(Br)cc1)c1cscc1Br.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-1-(4-bromothiophen-3-yl)ethanol?
The InChIKey is KQXKGPXVLWRHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2OS2/c13-8-1-3-9(4-2-8)17-7-12(15)10-5-16-6-11(10)14/h1-6,12,15H,7H2.
What are the key properties of 2-(4-bromophenyl)sulfanyl-1-(4-bromothiophen-3-yl)ethanol?
2-(4-bromophenyl)sulfanyl-1-(4-bromothiophen-3-yl)ethanol has a molecular weight of 394.15 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-1-(4-bromothiophen-3-yl)ethanol is sourced from PubChem (CID 79596174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).