2-(2-aminoethoxy)ethanethiol

C4H11NOS — CID 21349197

IUPAC2-(2-aminoethoxy)ethanethiol
SMILESNCCOCCS
InChIInChI=1S/C4H11NOS/c5-1-2-6-3-4-7/h7H,1-5H2
InChIKeyMYKZNEYPPAZAKR-UHFFFAOYSA-N
MW121.21 g/mol
LogP-0.11
Rot. Bonds4

About 2-(2-aminoethoxy)ethanethiol

2-(2-aminoethoxy)ethanethiol (PubChem CID 21349197) has the molecular formula C4H11NOS and a molecular weight of 121.21 g/mol. Its IUPAC name is 2-(2-aminoethoxy)ethanethiol.

Molecular Properties

Compound Name2-(2-aminoethoxy)ethanethiol
PubChem CID21349197
Molecular FormulaC4H11NOS
Molecular Weight121.21 g/mol
Exact Mass121.06
IUPAC Name2-(2-aminoethoxy)ethanethiol
SMILESNCCOCCS
InChIInChI=1S/C4H11NOS/c5-1-2-6-3-4-7/h7H,1-5H2
InChIKeyMYKZNEYPPAZAKR-UHFFFAOYSA-N
XLogP-0.11
TPSA35.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.21
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)ethanethiol?
The IUPAC name of 2-(2-aminoethoxy)ethanethiol (CID 21349197) is 2-(2-aminoethoxy)ethanethiol.
What is the SMILES notation for 2-(2-aminoethoxy)ethanethiol?
The canonical SMILES for 2-(2-aminoethoxy)ethanethiol is NCCOCCS.
What is the InChIKey of 2-(2-aminoethoxy)ethanethiol?
The InChIKey is MYKZNEYPPAZAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NOS/c5-1-2-6-3-4-7/h7H,1-5H2.
What are the key properties of 2-(2-aminoethoxy)ethanethiol?
2-(2-aminoethoxy)ethanethiol has a molecular weight of 121.21 g/mol, XLogP of -0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)ethanethiol is sourced from PubChem (CID 21349197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).