bis(prop-2-enyl)-prop-2-enylsulfanylazanium

C9H16NS+ — CID 173120425

IUPACbis(prop-2-enyl)-prop-2-enylsulfanylazanium
SMILESC=CCS[NH+](CC=C)CC=C
InChIInChI=1S/C9H15NS/c1-4-7-10(8-5-2)11-9-6-3/h4-6H,1-3,7-9H2/p+1
InChIKeyBYVJRQJZWIUIAJ-UHFFFAOYSA-O
MW170.30 g/mol
LogP1.08
Rot. Bonds7

About bis(prop-2-enyl)-prop-2-enylsulfanylazanium

bis(prop-2-enyl)-prop-2-enylsulfanylazanium (PubChem CID 173120425) has the molecular formula C9H16NS+ and a molecular weight of 170.30 g/mol. Its IUPAC name is bis(prop-2-enyl)-prop-2-enylsulfanylazanium.

Molecular Properties

Compound Namebis(prop-2-enyl)-prop-2-enylsulfanylazanium
PubChem CID173120425
Molecular FormulaC9H16NS+
Molecular Weight170.30 g/mol
Exact Mass170.10
IUPAC Namebis(prop-2-enyl)-prop-2-enylsulfanylazanium
SMILESC=CCS[NH+](CC=C)CC=C
InChIInChI=1S/C9H15NS/c1-4-7-10(8-5-2)11-9-6-3/h4-6H,1-3,7-9H2/p+1
InChIKeyBYVJRQJZWIUIAJ-UHFFFAOYSA-O
XLogP1.08
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(prop-2-enyl)-prop-2-enylsulfanylazanium?
The IUPAC name of bis(prop-2-enyl)-prop-2-enylsulfanylazanium (CID 173120425) is bis(prop-2-enyl)-prop-2-enylsulfanylazanium.
What is the SMILES notation for bis(prop-2-enyl)-prop-2-enylsulfanylazanium?
The canonical SMILES for bis(prop-2-enyl)-prop-2-enylsulfanylazanium is C=CCS[NH+](CC=C)CC=C.
What is the InChIKey of bis(prop-2-enyl)-prop-2-enylsulfanylazanium?
The InChIKey is BYVJRQJZWIUIAJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H15NS/c1-4-7-10(8-5-2)11-9-6-3/h4-6H,1-3,7-9H2/p+1.
What are the key properties of bis(prop-2-enyl)-prop-2-enylsulfanylazanium?
bis(prop-2-enyl)-prop-2-enylsulfanylazanium has a molecular weight of 170.30 g/mol, XLogP of 1.08, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(prop-2-enyl)-prop-2-enylsulfanylazanium is sourced from PubChem (CID 173120425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).