2-aminoethylsulfanium

C2H8NS+ — CID 5151983

IUPAC2-aminoethylsulfanium
SMILESNCC[SH2+]
InChIInChI=1S/C2H7NS/c3-1-2-4/h4H,1-3H2/p+1
InChIKeyUFULAYFCSOUIOV-UHFFFAOYSA-O
MW78.16 g/mol
LogP-1.04
Rot. Bonds1

About 2-aminoethylsulfanium

2-aminoethylsulfanium (PubChem CID 5151983) has the molecular formula C2H8NS+ and a molecular weight of 78.16 g/mol. Its IUPAC name is 2-aminoethylsulfanium.

Molecular Properties

Compound Name2-aminoethylsulfanium
PubChem CID5151983
Molecular FormulaC2H8NS+
Molecular Weight78.16 g/mol
Exact Mass78.04
IUPAC Name2-aminoethylsulfanium
SMILESNCC[SH2+]
InChIInChI=1S/C2H7NS/c3-1-2-4/h4H,1-3H2/p+1
InChIKeyUFULAYFCSOUIOV-UHFFFAOYSA-O
XLogP-1.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50078.16
LogP ≤ 5-1.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-aminoethylsulfanium?
The IUPAC name of 2-aminoethylsulfanium (CID 5151983) is 2-aminoethylsulfanium.
What is the SMILES notation for 2-aminoethylsulfanium?
The canonical SMILES for 2-aminoethylsulfanium is NCC[SH2+].
What is the InChIKey of 2-aminoethylsulfanium?
The InChIKey is UFULAYFCSOUIOV-UHFFFAOYSA-O. The full InChI is InChI=1S/C2H7NS/c3-1-2-4/h4H,1-3H2/p+1.
What are the key properties of 2-aminoethylsulfanium?
2-aminoethylsulfanium has a molecular weight of 78.16 g/mol, XLogP of -1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethylsulfanium is sourced from PubChem (CID 5151983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).