1-(3-bromofuran-2-yl)-2-(3-bromophenyl)sulfanylethanol

C12H10Br2O2S — CID 66160380

IUPAC1-(3-bromofuran-2-yl)-2-(3-bromophenyl)sulfanylethanol
SMILESOC(CSc1cccc(Br)c1)c1occc1Br
InChIInChI=1S/C12H10Br2O2S/c13-8-2-1-3-9(6-8)17-7-11(15)12-10(14)4-5-16-12/h1-6,11,15H,7H2
InChIKeySKQQLIRXZLNPDC-UHFFFAOYSA-N
MW378.09 g/mol
LogP4.63
Rot. Bonds4

About 1-(3-bromofuran-2-yl)-2-(3-bromophenyl)sulfanylethanol

1-(3-bromofuran-2-yl)-2-(3-bromophenyl)sulfanylethanol (PubChem CID 66160380) has the molecular formula C12H10Br2O2S and a molecular weight of 378.09 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-2-(3-bromophenyl)sulfanylethanol.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-2-(3-bromophenyl)sulfanylethanol
PubChem CID66160380
Molecular FormulaC12H10Br2O2S
Molecular Weight378.09 g/mol
Exact Mass375.88
IUPAC Name1-(3-bromofuran-2-yl)-2-(3-bromophenyl)sulfanylethanol
SMILESOC(CSc1cccc(Br)c1)c1occc1Br
InChIInChI=1S/C12H10Br2O2S/c13-8-2-1-3-9(6-8)17-7-11(15)12-10(14)4-5-16-12/h1-6,11,15H,7H2
InChIKeySKQQLIRXZLNPDC-UHFFFAOYSA-N
XLogP4.63
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.09
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromofuran-2-yl)-2-(3-bromophenyl)ethanol
CID 63942630
1-(3-bromofuran-2-yl)-2-(2-bromophenyl)sulfanylethanol
CID 66142888
2-(3-bromophenyl)sulfanyl-1-(3-fluorophenyl)ethanol
CID 66160966
2-(3-bromophenyl)sulfanyl-1-thiophen-2-ylethanol
CID 63102586
2-(3-bromophenyl)sulfanyl-1-(2,3-dihydrofuran-5-yl)ethanol
CID 102654730
1-(3-bromophenyl)sulfanyl-4-methylpentan-2-ol
CID 66159590
2-(3-bromophenyl)sulfanyl-1-(2,4-dimethylphenyl)ethanol
CID 66161169
1-(3-bromophenyl)sulfanyl-3-(3-chlorophenyl)sulfanylpropan-2-ol
CID 66160238
2-(3-bromophenyl)sulfanyl-1-(furan-3-yl)ethanamine
CID 66160002
2-(3-bromophenyl)sulfanyl-1-(4-propan-2-yloxyphenyl)ethanol
CID 66158616
2-(3-bromophenyl)sulfanyl-1-(3-fluoro-4-methylphenyl)ethanol
CID 107128535
[2-(3-bromophenyl)sulfanyl-1-(furan-3-yl)ethyl]hydrazine
CID 105238462

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-2-(3-bromophenyl)sulfanylethanol?
The IUPAC name of 1-(3-bromofuran-2-yl)-2-(3-bromophenyl)sulfanylethanol (CID 66160380) is 1-(3-bromofuran-2-yl)-2-(3-bromophenyl)sulfanylethanol.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-2-(3-bromophenyl)sulfanylethanol?
The canonical SMILES for 1-(3-bromofuran-2-yl)-2-(3-bromophenyl)sulfanylethanol is OC(CSc1cccc(Br)c1)c1occc1Br.
What is the InChIKey of 1-(3-bromofuran-2-yl)-2-(3-bromophenyl)sulfanylethanol?
The InChIKey is SKQQLIRXZLNPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2O2S/c13-8-2-1-3-9(6-8)17-7-11(15)12-10(14)4-5-16-12/h1-6,11,15H,7H2.
What are the key properties of 1-(3-bromofuran-2-yl)-2-(3-bromophenyl)sulfanylethanol?
1-(3-bromofuran-2-yl)-2-(3-bromophenyl)sulfanylethanol has a molecular weight of 378.09 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromofuran-2-yl)-2-(3-bromophenyl)sulfanylethanol is sourced from PubChem (CID 66160380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).