(ethylideneamino)-oxido-prop-1-en-2-ylsulfanium

C5H9NOS — CID 173466561

IUPAC(ethylideneamino)-oxido-prop-1-en-2-ylsulfanium
SMILESC=C(C)[S+]([O-])N=CC
InChIInChI=1S/C5H9NOS/c1-4-6-8(7)5(2)3/h4H,2H2,1,3H3
InChIKeyBEUURJHPOYKZGE-UHFFFAOYSA-N
MW131.20 g/mol
LogP1.27
Rot. Bonds2

About (ethylideneamino)-oxido-prop-1-en-2-ylsulfanium

(ethylideneamino)-oxido-prop-1-en-2-ylsulfanium (PubChem CID 173466561) has the molecular formula C5H9NOS and a molecular weight of 131.20 g/mol. Its IUPAC name is (ethylideneamino)-oxido-prop-1-en-2-ylsulfanium.

Molecular Properties

Compound Name(ethylideneamino)-oxido-prop-1-en-2-ylsulfanium
PubChem CID173466561
Molecular FormulaC5H9NOS
Molecular Weight131.20 g/mol
Exact Mass131.04
IUPAC Name(ethylideneamino)-oxido-prop-1-en-2-ylsulfanium
SMILESC=C(C)[S+]([O-])N=CC
InChIInChI=1S/C5H9NOS/c1-4-6-8(7)5(2)3/h4H,2H2,1,3H3
InChIKeyBEUURJHPOYKZGE-UHFFFAOYSA-N
XLogP1.27
TPSA35.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.20
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (ethylideneamino)-oxido-prop-1-en-2-ylsulfanium?
The IUPAC name of (ethylideneamino)-oxido-prop-1-en-2-ylsulfanium (CID 173466561) is (ethylideneamino)-oxido-prop-1-en-2-ylsulfanium.
What is the SMILES notation for (ethylideneamino)-oxido-prop-1-en-2-ylsulfanium?
The canonical SMILES for (ethylideneamino)-oxido-prop-1-en-2-ylsulfanium is C=C(C)[S+]([O-])N=CC.
What is the InChIKey of (ethylideneamino)-oxido-prop-1-en-2-ylsulfanium?
The InChIKey is BEUURJHPOYKZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NOS/c1-4-6-8(7)5(2)3/h4H,2H2,1,3H3.
What are the key properties of (ethylideneamino)-oxido-prop-1-en-2-ylsulfanium?
(ethylideneamino)-oxido-prop-1-en-2-ylsulfanium has a molecular weight of 131.20 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (ethylideneamino)-oxido-prop-1-en-2-ylsulfanium is sourced from PubChem (CID 173466561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).