dimethyl(1-prop-2-enylsulfanylpent-4-enylidene)azanium

C10H18NS+ — CID 71381288

IUPACdimethyl(1-prop-2-enylsulfanylpent-4-enylidene)azanium
SMILESC=CCCC(SCC=C)=[N+](C)C
InChIInChI=1S/C10H18NS/c1-5-7-8-10(11(3)4)12-9-6-2/h5-6H,1-2,7-9H2,3-4H3/q+1
InChIKeyQGXCXQLAMZDMNP-UHFFFAOYSA-N
MW184.33 g/mol
LogP2.54
Rot. Bonds5

About dimethyl(1-prop-2-enylsulfanylpent-4-enylidene)azanium

dimethyl(1-prop-2-enylsulfanylpent-4-enylidene)azanium (PubChem CID 71381288) has the molecular formula C10H18NS+ and a molecular weight of 184.33 g/mol. Its IUPAC name is dimethyl(1-prop-2-enylsulfanylpent-4-enylidene)azanium.

Molecular Properties

Compound Namedimethyl(1-prop-2-enylsulfanylpent-4-enylidene)azanium
PubChem CID71381288
Molecular FormulaC10H18NS+
Molecular Weight184.33 g/mol
Exact Mass184.12
IUPAC Namedimethyl(1-prop-2-enylsulfanylpent-4-enylidene)azanium
SMILESC=CCCC(SCC=C)=[N+](C)C
InChIInChI=1S/C10H18NS/c1-5-7-8-10(11(3)4)12-9-6-2/h5-6H,1-2,7-9H2,3-4H3/q+1
InChIKeyQGXCXQLAMZDMNP-UHFFFAOYSA-N
XLogP2.54
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 52.54
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-[(Z)-hex-1-enyl]sulfanylpentylidene-dimethylazanium tetrafluoroborate
CID 134919589
N,N-Dimethyl-1-[(prop-2-en-1-yl)sulfanyl]pent-4-en-1-iminium bromide
CID 71381287
pent-4-en-2-yl N-ethylethanimidothioate
CID 126621407
[(E)-3-methylbut-1-enyl] N,2-dimethylpropanimidothioate
CID 134353732
Dimethyl-(3-methyl-1-prop-2-enylsulfanylpent-4-enylidene)azanium
CID 176089133
Dimethyl-(3-methyl-1-prop-2-enylsulfanylpent-4-enylidene)azanium bromide
CID 177748448
1-[(But-2-en-1-yl)sulfanyl]-N,N-dimethylpent-4-en-1-iminium bromide
CID 71381285
1-But-2-enylsulfanylpent-4-enylidene(dimethyl)azanium
CID 71381286
Dimethyl-[1-(2-methylidenebutylsulfanyl)ethylidene]azanium
CID 71381290
1-But-2-enylsulfanylethylidene(dimethyl)azanium
CID 71381292
1-[(Z)-hex-1-enyl]sulfanylpentylidene-dimethylazanium
CID 101217537
5-[(Z)-hex-1-enyl]sulfanyl-1-methyl-3,4-dihydro-2H-pyrrol-1-ium
CID 134988992

Frequently Asked Questions

What is the IUPAC name of dimethyl(1-prop-2-enylsulfanylpent-4-enylidene)azanium?
The IUPAC name of dimethyl(1-prop-2-enylsulfanylpent-4-enylidene)azanium (CID 71381288) is dimethyl(1-prop-2-enylsulfanylpent-4-enylidene)azanium.
What is the SMILES notation for dimethyl(1-prop-2-enylsulfanylpent-4-enylidene)azanium?
The canonical SMILES for dimethyl(1-prop-2-enylsulfanylpent-4-enylidene)azanium is C=CCCC(SCC=C)=[N+](C)C.
What is the InChIKey of dimethyl(1-prop-2-enylsulfanylpent-4-enylidene)azanium?
The InChIKey is QGXCXQLAMZDMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18NS/c1-5-7-8-10(11(3)4)12-9-6-2/h5-6H,1-2,7-9H2,3-4H3/q+1.
What are the key properties of dimethyl(1-prop-2-enylsulfanylpent-4-enylidene)azanium?
dimethyl(1-prop-2-enylsulfanylpent-4-enylidene)azanium has a molecular weight of 184.33 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(1-prop-2-enylsulfanylpent-4-enylidene)azanium is sourced from PubChem (CID 71381288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).