2-(5-bromofuran-2-yl)-3-sulfanylpropan-1-ol

C7H9BrO2S — CID 117240749

IUPAC2-(5-bromofuran-2-yl)-3-sulfanylpropan-1-ol
SMILESOCC(CS)c1ccc(Br)o1
InChIInChI=1S/C7H9BrO2S/c8-7-2-1-6(10-7)5(3-9)4-11/h1-2,5,9,11H,3-4H2
InChIKeyQRWRCIZLVMHUED-UHFFFAOYSA-N
MW237.12 g/mol
LogP2.05
Rot. Bonds3

About 2-(5-bromofuran-2-yl)-3-sulfanylpropan-1-ol

2-(5-bromofuran-2-yl)-3-sulfanylpropan-1-ol (PubChem CID 117240749) has the molecular formula C7H9BrO2S and a molecular weight of 237.12 g/mol. Its IUPAC name is 2-(5-bromofuran-2-yl)-3-sulfanylpropan-1-ol.

Molecular Properties

Compound Name2-(5-bromofuran-2-yl)-3-sulfanylpropan-1-ol
PubChem CID117240749
Molecular FormulaC7H9BrO2S
Molecular Weight237.12 g/mol
Exact Mass235.95
IUPAC Name2-(5-bromofuran-2-yl)-3-sulfanylpropan-1-ol
SMILESOCC(CS)c1ccc(Br)o1
InChIInChI=1S/C7H9BrO2S/c8-7-2-1-6(10-7)5(3-9)4-11/h1-2,5,9,11H,3-4H2
InChIKeyQRWRCIZLVMHUED-UHFFFAOYSA-N
XLogP2.05
TPSA33.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.12
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-(5-bromofuran-2-yl)ethanol
CID 82659275
2-(5-bromofuran-2-yl)-3-(cyclobutylamino)propan-1-ol
CID 117240298
2-(4-bromophenyl)-3-sulfanylpropan-1-ol
CID 117245035
2-(5-bromofuran-2-yl)-3-(3-fluorophenoxy)propan-1-ol
CID 117240583
(2S)-2-[1-(5-bromofuran-2-yl)ethylamino]butan-1-ol
CID 104980490
1-(5-bromofuran-2-yl)-2-fluoroethanamine
CID 83820366
N-[1-(5-bromofuran-2-yl)propyl]hydroxylamine
CID 130151575
1-(5-bromofuran-2-yl)prop-2-yn-1-ol
CID 64914570
(1S)-1-(5-bromofuran-2-yl)propane-1,3-diamine
CID 130817286
3-amino-3-(5-bromofuran-2-yl)propanoic acid
CID 24706376
(3R)-3-amino-3-(5-bromofuran-2-yl)propanamide
CID 29060163
(2S)-2-(5-methylfuran-2-yl)butan-1-ol
CID 58330576

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromofuran-2-yl)-3-sulfanylpropan-1-ol?
The IUPAC name of 2-(5-bromofuran-2-yl)-3-sulfanylpropan-1-ol (CID 117240749) is 2-(5-bromofuran-2-yl)-3-sulfanylpropan-1-ol.
What is the SMILES notation for 2-(5-bromofuran-2-yl)-3-sulfanylpropan-1-ol?
The canonical SMILES for 2-(5-bromofuran-2-yl)-3-sulfanylpropan-1-ol is OCC(CS)c1ccc(Br)o1.
What is the InChIKey of 2-(5-bromofuran-2-yl)-3-sulfanylpropan-1-ol?
The InChIKey is QRWRCIZLVMHUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrO2S/c8-7-2-1-6(10-7)5(3-9)4-11/h1-2,5,9,11H,3-4H2.
What are the key properties of 2-(5-bromofuran-2-yl)-3-sulfanylpropan-1-ol?
2-(5-bromofuran-2-yl)-3-sulfanylpropan-1-ol has a molecular weight of 237.12 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromofuran-2-yl)-3-sulfanylpropan-1-ol is sourced from PubChem (CID 117240749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).