[amino(ethylsulfanyl)methylidene]-ethylazanium

C5H13N2S+ — CID 101002215

IUPAC[amino(ethylsulfanyl)methylidene]-ethylazanium
SMILESCC/[NH+]=C(\N)SCC
InChIInChI=1S/C5H12N2S/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3,(H2,6,7)/p+1
InChIKeyGOWCNSRSUAGWJF-UHFFFAOYSA-O
MW133.24 g/mol
LogP-0.85
Rot. Bonds2

About [amino(ethylsulfanyl)methylidene]-ethylazanium

[amino(ethylsulfanyl)methylidene]-ethylazanium (PubChem CID 101002215) has the molecular formula C5H13N2S+ and a molecular weight of 133.24 g/mol. Its IUPAC name is [amino(ethylsulfanyl)methylidene]-ethylazanium.

Molecular Properties

Compound Name[amino(ethylsulfanyl)methylidene]-ethylazanium
PubChem CID101002215
Molecular FormulaC5H13N2S+
Molecular Weight133.24 g/mol
Exact Mass133.08
IUPAC Name[amino(ethylsulfanyl)methylidene]-ethylazanium
SMILESCC/[NH+]=C(\N)SCC
InChIInChI=1S/C5H12N2S/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3,(H2,6,7)/p+1
InChIKeyGOWCNSRSUAGWJF-UHFFFAOYSA-O
XLogP-0.85
TPSA39.99 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.24
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [amino(ethylsulfanyl)methylidene]-ethylazanium?
The IUPAC name of [amino(ethylsulfanyl)methylidene]-ethylazanium (CID 101002215) is [amino(ethylsulfanyl)methylidene]-ethylazanium.
What is the SMILES notation for [amino(ethylsulfanyl)methylidene]-ethylazanium?
The canonical SMILES for [amino(ethylsulfanyl)methylidene]-ethylazanium is CC/[NH+]=C(\N)SCC.
What is the InChIKey of [amino(ethylsulfanyl)methylidene]-ethylazanium?
The InChIKey is GOWCNSRSUAGWJF-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H12N2S/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3,(H2,6,7)/p+1.
What are the key properties of [amino(ethylsulfanyl)methylidene]-ethylazanium?
[amino(ethylsulfanyl)methylidene]-ethylazanium has a molecular weight of 133.24 g/mol, XLogP of -0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [amino(ethylsulfanyl)methylidene]-ethylazanium is sourced from PubChem (CID 101002215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).