2-ethylsulfanylethenyl-methyl-methylideneazanium

C6H12NS+ — CID 123759652

IUPAC2-ethylsulfanylethenyl-methyl-methylideneazanium
SMILESC=[N+](C)C=CSCC
InChIInChI=1S/C6H12NS/c1-4-8-6-5-7(2)3/h5-6H,2,4H2,1,3H3/q+1
InChIKeyYTZNQJQYYDOWQI-UHFFFAOYSA-N
MW130.24 g/mol
LogP1.55
Rot. Bonds3

About 2-ethylsulfanylethenyl-methyl-methylideneazanium

2-ethylsulfanylethenyl-methyl-methylideneazanium (PubChem CID 123759652) has the molecular formula C6H12NS+ and a molecular weight of 130.24 g/mol. Its IUPAC name is 2-ethylsulfanylethenyl-methyl-methylideneazanium.

Molecular Properties

Compound Name2-ethylsulfanylethenyl-methyl-methylideneazanium
PubChem CID123759652
Molecular FormulaC6H12NS+
Molecular Weight130.24 g/mol
Exact Mass130.07
IUPAC Name2-ethylsulfanylethenyl-methyl-methylideneazanium
SMILESC=[N+](C)C=CSCC
InChIInChI=1S/C6H12NS/c1-4-8-6-5-7(2)3/h5-6H,2,4H2,1,3H3/q+1
InChIKeyYTZNQJQYYDOWQI-UHFFFAOYSA-N
XLogP1.55
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.24
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;ethene;(Z)-1-ethylsulfanylprop-1-ene
CID 143200464
(Z)-1-ethylsulfanylbut-1-ene
CID 5463148
(E)-1-chloro-2-ethylsulfanylethene
CID 131242842
[(Z)-2-[ethyl(methyl)amino]ethenyl]-methyl-methylideneazanium
CID 143182664
1-ethylsulfanylpropa-1,2-diene
CID 13235002
N-[(Z)-1-ethylsulfanylbut-1-en-2-yl]methanimine
CID 138672631
ethenylsulfanylethane;ethoxyethane
CID 174814093
methyl-methylidene-[(Z)-2-methylpent-1-enyl]azanium
CID 142029528
but-1-ene;ethane;ethenylsulfanylethane;2-methylpropane
CID 143033404
[(2Z,4E)-5-ethylsulfanylpenta-2,4-dienyl] prop-2-enoate
CID 88529737
(E)-7-ethylsulfanyl-3-methylhept-6-en-4-yn-3-ol
CID 12577049
(Z)-5,5-diethoxy-1-ethylsulfanylpent-1-en-3-yne
CID 134878544

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanylethenyl-methyl-methylideneazanium?
The IUPAC name of 2-ethylsulfanylethenyl-methyl-methylideneazanium (CID 123759652) is 2-ethylsulfanylethenyl-methyl-methylideneazanium.
What is the SMILES notation for 2-ethylsulfanylethenyl-methyl-methylideneazanium?
The canonical SMILES for 2-ethylsulfanylethenyl-methyl-methylideneazanium is C=[N+](C)C=CSCC.
What is the InChIKey of 2-ethylsulfanylethenyl-methyl-methylideneazanium?
The InChIKey is YTZNQJQYYDOWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12NS/c1-4-8-6-5-7(2)3/h5-6H,2,4H2,1,3H3/q+1.
What are the key properties of 2-ethylsulfanylethenyl-methyl-methylideneazanium?
2-ethylsulfanylethenyl-methyl-methylideneazanium has a molecular weight of 130.24 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanylethenyl-methyl-methylideneazanium is sourced from PubChem (CID 123759652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).