1-(3-bromofuran-2-yl)-3-methylsulfanylpropan-1-ol

C8H11BrO2S — CID 63942227

IUPAC1-(3-bromofuran-2-yl)-3-methylsulfanylpropan-1-ol
SMILESCSCCC(O)c1occc1Br
InChIInChI=1S/C8H11BrO2S/c1-12-5-3-7(10)8-6(9)2-4-11-8/h2,4,7,10H,3,5H2,1H3
InChIKeySINBMECTQKXMPL-UHFFFAOYSA-N
MW251.14 g/mol
LogP2.83
Rot. Bonds4

About 1-(3-bromofuran-2-yl)-3-methylsulfanylpropan-1-ol

1-(3-bromofuran-2-yl)-3-methylsulfanylpropan-1-ol (PubChem CID 63942227) has the molecular formula C8H11BrO2S and a molecular weight of 251.14 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-3-methylsulfanylpropan-1-ol.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-3-methylsulfanylpropan-1-ol
PubChem CID63942227
Molecular FormulaC8H11BrO2S
Molecular Weight251.14 g/mol
Exact Mass249.97
IUPAC Name1-(3-bromofuran-2-yl)-3-methylsulfanylpropan-1-ol
SMILESCSCCC(O)c1occc1Br
InChIInChI=1S/C8H11BrO2S/c1-12-5-3-7(10)8-6(9)2-4-11-8/h2,4,7,10H,3,5H2,1H3
InChIKeySINBMECTQKXMPL-UHFFFAOYSA-N
XLogP2.83
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.14
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-3-methylsulfanylpropan-1-ol?
The IUPAC name of 1-(3-bromofuran-2-yl)-3-methylsulfanylpropan-1-ol (CID 63942227) is 1-(3-bromofuran-2-yl)-3-methylsulfanylpropan-1-ol.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-3-methylsulfanylpropan-1-ol?
The canonical SMILES for 1-(3-bromofuran-2-yl)-3-methylsulfanylpropan-1-ol is CSCCC(O)c1occc1Br.
What is the InChIKey of 1-(3-bromofuran-2-yl)-3-methylsulfanylpropan-1-ol?
The InChIKey is SINBMECTQKXMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrO2S/c1-12-5-3-7(10)8-6(9)2-4-11-8/h2,4,7,10H,3,5H2,1H3.
What are the key properties of 1-(3-bromofuran-2-yl)-3-methylsulfanylpropan-1-ol?
1-(3-bromofuran-2-yl)-3-methylsulfanylpropan-1-ol has a molecular weight of 251.14 g/mol, XLogP of 2.83, 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)-3-methylsulfanylpropan-1-ol is sourced from PubChem (CID 63942227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).