ethyl-methyl-(prop-1-en-2-ylsulfanylmethylidene)azanium

C7H14NS+ — CID 123380749

IUPACethyl-methyl-(prop-1-en-2-ylsulfanylmethylidene)azanium
SMILESC=C(C)S/C=[N+](\C)CC
InChIInChI=1S/C7H14NS/c1-5-8(4)6-9-7(2)3/h6H,2,5H2,1,3-4H3/q+1/b8-6+
InChIKeyXQXFOKRRSJOESA-SOFGYWHQSA-N
MW144.26 g/mol
LogP1.94
Rot. Bonds3

About ethyl-methyl-(prop-1-en-2-ylsulfanylmethylidene)azanium

ethyl-methyl-(prop-1-en-2-ylsulfanylmethylidene)azanium (PubChem CID 123380749) has the molecular formula C7H14NS+ and a molecular weight of 144.26 g/mol. Its IUPAC name is ethyl-methyl-(prop-1-en-2-ylsulfanylmethylidene)azanium.

Molecular Properties

Compound Nameethyl-methyl-(prop-1-en-2-ylsulfanylmethylidene)azanium
PubChem CID123380749
Molecular FormulaC7H14NS+
Molecular Weight144.26 g/mol
Exact Mass144.08
IUPAC Nameethyl-methyl-(prop-1-en-2-ylsulfanylmethylidene)azanium
SMILESC=C(C)S/C=[N+](\C)CC
InChIInChI=1S/C7H14NS/c1-5-8(4)6-9-7(2)3/h6H,2,5H2,1,3-4H3/q+1/b8-6+
InChIKeyXQXFOKRRSJOESA-SOFGYWHQSA-N
XLogP1.94
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl-methyl-(prop-1-en-2-ylsulfanylmethylidene)azanium?
The IUPAC name of ethyl-methyl-(prop-1-en-2-ylsulfanylmethylidene)azanium (CID 123380749) is ethyl-methyl-(prop-1-en-2-ylsulfanylmethylidene)azanium.
What is the SMILES notation for ethyl-methyl-(prop-1-en-2-ylsulfanylmethylidene)azanium?
The canonical SMILES for ethyl-methyl-(prop-1-en-2-ylsulfanylmethylidene)azanium is C=C(C)S/C=[N+](\C)CC.
What is the InChIKey of ethyl-methyl-(prop-1-en-2-ylsulfanylmethylidene)azanium?
The InChIKey is XQXFOKRRSJOESA-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H14NS/c1-5-8(4)6-9-7(2)3/h6H,2,5H2,1,3-4H3/q+1/b8-6+.
What are the key properties of ethyl-methyl-(prop-1-en-2-ylsulfanylmethylidene)azanium?
ethyl-methyl-(prop-1-en-2-ylsulfanylmethylidene)azanium has a molecular weight of 144.26 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-methyl-(prop-1-en-2-ylsulfanylmethylidene)azanium is sourced from PubChem (CID 123380749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).