1-(4-bromophenyl)sulfanylpropan-2-ol

C9H11BrOS — CID 59805229

IUPAC1-(4-bromophenyl)sulfanylpropan-2-ol
SMILESCC(O)CSc1ccc(Br)cc1
InChIInChI=1S/C9H11BrOS/c1-7(11)6-12-9-4-2-8(10)3-5-9/h2-5,7,11H,6H2,1H3
InChIKeyJXLAOKSCTAHUCN-UHFFFAOYSA-N
MW247.16 g/mol
LogP2.92
Rot. Bonds3

About 1-(4-bromophenyl)sulfanylpropan-2-ol

1-(4-bromophenyl)sulfanylpropan-2-ol (PubChem CID 59805229) has the molecular formula C9H11BrOS and a molecular weight of 247.16 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfanylpropan-2-ol
PubChem CID59805229
Molecular FormulaC9H11BrOS
Molecular Weight247.16 g/mol
Exact Mass245.97
IUPAC Name1-(4-bromophenyl)sulfanylpropan-2-ol
SMILESCC(O)CSc1ccc(Br)cc1
InChIInChI=1S/C9H11BrOS/c1-7(11)6-12-9-4-2-8(10)3-5-9/h2-5,7,11H,6H2,1H3
InChIKeyJXLAOKSCTAHUCN-UHFFFAOYSA-N
XLogP2.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.16
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfanylpropan-2-ol?
The IUPAC name of 1-(4-bromophenyl)sulfanylpropan-2-ol (CID 59805229) is 1-(4-bromophenyl)sulfanylpropan-2-ol.
What is the SMILES notation for 1-(4-bromophenyl)sulfanylpropan-2-ol?
The canonical SMILES for 1-(4-bromophenyl)sulfanylpropan-2-ol is CC(O)CSc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)sulfanylpropan-2-ol?
The InChIKey is JXLAOKSCTAHUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrOS/c1-7(11)6-12-9-4-2-8(10)3-5-9/h2-5,7,11H,6H2,1H3.
What are the key properties of 1-(4-bromophenyl)sulfanylpropan-2-ol?
1-(4-bromophenyl)sulfanylpropan-2-ol has a molecular weight of 247.16 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfanylpropan-2-ol is sourced from PubChem (CID 59805229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).