2-[benzyl-bromo-(2-hydroxyethyl)-λ4-sulfanyl]ethanol

C11H17BrO2S — CID 139752737

IUPAC2-[benzyl-bromo-(2-hydroxyethyl)-λ4-sulfanyl]ethanol
SMILESOCCS(Br)(CCO)Cc1ccccc1
InChIInChI=1S/C11H17BrO2S/c12-15(8-6-13,9-7-14)10-11-4-2-1-3-5-11/h1-5,13-14H,6-10H2
InChIKeyWTEVOLIWPCYTLM-UHFFFAOYSA-N
MW293.23 g/mol
LogP2.29
Rot. Bonds6

About 2-[benzyl-bromo-(2-hydroxyethyl)-λ4-sulfanyl]ethanol

2-[benzyl-bromo-(2-hydroxyethyl)-λ4-sulfanyl]ethanol (PubChem CID 139752737) has the molecular formula C11H17BrO2S and a molecular weight of 293.23 g/mol. Its IUPAC name is 2-[benzyl-bromo-(2-hydroxyethyl)-λ4-sulfanyl]ethanol.

Molecular Properties

Compound Name2-[benzyl-bromo-(2-hydroxyethyl)-λ4-sulfanyl]ethanol
PubChem CID139752737
Molecular FormulaC11H17BrO2S
Molecular Weight293.23 g/mol
Exact Mass292.01
IUPAC Name2-[benzyl-bromo-(2-hydroxyethyl)-λ4-sulfanyl]ethanol
SMILESOCCS(Br)(CCO)Cc1ccccc1
InChIInChI=1S/C11H17BrO2S/c12-15(8-6-13,9-7-14)10-11-4-2-1-3-5-11/h1-5,13-14H,6-10H2
InChIKeyWTEVOLIWPCYTLM-UHFFFAOYSA-N
XLogP2.29
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.23
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-bromo-(2-hydroxyethyl)-λ4-sulfanyl]ethanol?
The IUPAC name of 2-[benzyl-bromo-(2-hydroxyethyl)-λ4-sulfanyl]ethanol (CID 139752737) is 2-[benzyl-bromo-(2-hydroxyethyl)-λ4-sulfanyl]ethanol.
What is the SMILES notation for 2-[benzyl-bromo-(2-hydroxyethyl)-λ4-sulfanyl]ethanol?
The canonical SMILES for 2-[benzyl-bromo-(2-hydroxyethyl)-λ4-sulfanyl]ethanol is OCCS(Br)(CCO)Cc1ccccc1.
What is the InChIKey of 2-[benzyl-bromo-(2-hydroxyethyl)-λ4-sulfanyl]ethanol?
The InChIKey is WTEVOLIWPCYTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrO2S/c12-15(8-6-13,9-7-14)10-11-4-2-1-3-5-11/h1-5,13-14H,6-10H2.
What are the key properties of 2-[benzyl-bromo-(2-hydroxyethyl)-λ4-sulfanyl]ethanol?
2-[benzyl-bromo-(2-hydroxyethyl)-λ4-sulfanyl]ethanol has a molecular weight of 293.23 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-bromo-(2-hydroxyethyl)-λ4-sulfanyl]ethanol is sourced from PubChem (CID 139752737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).