2-hydroxyethyl-bis(sulfanyl)azanium bromide

C2H8BrNOS2 — CID 162317284

IUPAC2-hydroxyethyl-bis(sulfanyl)azanium bromide
SMILESOCC[NH+](S)S.[Br-]
InChIInChI=1S/C2H7NOS2.BrH/c4-2-1-3(5)6;/h4-6H,1-2H2;1H
InChIKeyCZEVSEWGWWDQKY-UHFFFAOYSA-N
MW206.13 g/mol
LogP-4.44
Rot. Bonds2

About 2-hydroxyethyl-bis(sulfanyl)azanium bromide

2-hydroxyethyl-bis(sulfanyl)azanium bromide (PubChem CID 162317284) has the molecular formula C2H8BrNOS2 and a molecular weight of 206.13 g/mol. Its IUPAC name is 2-hydroxyethyl-bis(sulfanyl)azanium bromide.

Molecular Properties

Compound Name2-hydroxyethyl-bis(sulfanyl)azanium bromide
PubChem CID162317284
Molecular FormulaC2H8BrNOS2
Molecular Weight206.13 g/mol
Exact Mass204.92
IUPAC Name2-hydroxyethyl-bis(sulfanyl)azanium bromide
SMILESOCC[NH+](S)S.[Br-]
InChIInChI=1S/C2H7NOS2.BrH/c4-2-1-3(5)6;/h4-6H,1-2H2;1H
InChIKeyCZEVSEWGWWDQKY-UHFFFAOYSA-N
XLogP-4.44
TPSA24.67 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.13
LogP ≤ 5-4.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

azanide;bis(2-hydroxyethyl(dimethyl)azanium)
CID 140518381
tris(2-hydroxyethyl)azanium iodide
CID 87105413
CID 22991878
CID 22991878
2-hydroxyethyl(dimethyl)azanium acetate
CID 22140086
2-hydroxyethyl(dimethyl)azanium formate
CID 87203804
hydrogen carbonate;2-hydroxyethyl(dimethyl)azanium
CID 87203500
bis(2-hydroxyethyl)-methyl-tritioazanium
CID 58606981
2-sulfanyl(1,2-13C2)ethanol
CID 71308868
ethane-1,2-diol;methanethiol
CID 174955680
4-hydroxybutyl(dimethyl)azanium chloride
CID 174716092
2-hydroxyethyl-methyl-tetradecylazanium bromide
CID 134159623
2-hydroxyethyl-methyl-(2-methylbutyl)azanium
CID 21138852

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl-bis(sulfanyl)azanium bromide?
The IUPAC name of 2-hydroxyethyl-bis(sulfanyl)azanium bromide (CID 162317284) is 2-hydroxyethyl-bis(sulfanyl)azanium bromide.
What is the SMILES notation for 2-hydroxyethyl-bis(sulfanyl)azanium bromide?
The canonical SMILES for 2-hydroxyethyl-bis(sulfanyl)azanium bromide is OCC[NH+](S)S.[Br-].
What is the InChIKey of 2-hydroxyethyl-bis(sulfanyl)azanium bromide?
The InChIKey is CZEVSEWGWWDQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NOS2.BrH/c4-2-1-3(5)6;/h4-6H,1-2H2;1H.
What are the key properties of 2-hydroxyethyl-bis(sulfanyl)azanium bromide?
2-hydroxyethyl-bis(sulfanyl)azanium bromide has a molecular weight of 206.13 g/mol, XLogP of -4.44, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl-bis(sulfanyl)azanium bromide is sourced from PubChem (CID 162317284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).