2-(5-amino-2-ethylhexyl)sulfanylethanol

C10H23NOS — CID 166918574

IUPAC2-(5-amino-2-ethylhexyl)sulfanylethanol
SMILESCCC(CCC(C)N)CSCCO
InChIInChI=1S/C10H23NOS/c1-3-10(5-4-9(2)11)8-13-7-6-12/h9-10,12H,3-8,11H2,1-2H3
InChIKeyRRBQANWJTXYJIV-UHFFFAOYSA-N
MW205.37 g/mol
LogP1.87
Rot. Bonds8

About 2-(5-amino-2-ethylhexyl)sulfanylethanol

2-(5-amino-2-ethylhexyl)sulfanylethanol (PubChem CID 166918574) has the molecular formula C10H23NOS and a molecular weight of 205.37 g/mol. Its IUPAC name is 2-(5-amino-2-ethylhexyl)sulfanylethanol.

Molecular Properties

Compound Name2-(5-amino-2-ethylhexyl)sulfanylethanol
PubChem CID166918574
Molecular FormulaC10H23NOS
Molecular Weight205.37 g/mol
Exact Mass205.15
IUPAC Name2-(5-amino-2-ethylhexyl)sulfanylethanol
SMILESCCC(CCC(C)N)CSCCO
InChIInChI=1S/C10H23NOS/c1-3-10(5-4-9(2)11)8-13-7-6-12/h9-10,12H,3-8,11H2,1-2H3
InChIKeyRRBQANWJTXYJIV-UHFFFAOYSA-N
XLogP1.87
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.37
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-ethylhexyl)sulfanylethanol?
The IUPAC name of 2-(5-amino-2-ethylhexyl)sulfanylethanol (CID 166918574) is 2-(5-amino-2-ethylhexyl)sulfanylethanol.
What is the SMILES notation for 2-(5-amino-2-ethylhexyl)sulfanylethanol?
The canonical SMILES for 2-(5-amino-2-ethylhexyl)sulfanylethanol is CCC(CCC(C)N)CSCCO.
What is the InChIKey of 2-(5-amino-2-ethylhexyl)sulfanylethanol?
The InChIKey is RRBQANWJTXYJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NOS/c1-3-10(5-4-9(2)11)8-13-7-6-12/h9-10,12H,3-8,11H2,1-2H3.
What are the key properties of 2-(5-amino-2-ethylhexyl)sulfanylethanol?
2-(5-amino-2-ethylhexyl)sulfanylethanol has a molecular weight of 205.37 g/mol, XLogP of 1.87, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-ethylhexyl)sulfanylethanol is sourced from PubChem (CID 166918574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).