sulfane;tetrakis(prop-2-enyl)azanium

C12H22NS+ — CID 174809251

IUPACsulfane;tetrakis(prop-2-enyl)azanium
SMILESC=CC[N+](CC=C)(CC=C)CC=C.S
InChIInChI=1S/C12H20N.H2S/c1-5-9-13(10-6-2,11-7-3)12-8-4;/h5-8H,1-4,9-12H2;1H2/q+1;
InChIKeySEKCQZQGETXPEZ-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.66
Rot. Bonds8

About sulfane;tetrakis(prop-2-enyl)azanium

sulfane;tetrakis(prop-2-enyl)azanium (PubChem CID 174809251) has the molecular formula C12H22NS+ and a molecular weight of 212.38 g/mol. Its IUPAC name is sulfane;tetrakis(prop-2-enyl)azanium.

Molecular Properties

Compound Namesulfane;tetrakis(prop-2-enyl)azanium
PubChem CID174809251
Molecular FormulaC12H22NS+
Molecular Weight212.38 g/mol
Exact Mass212.15
IUPAC Namesulfane;tetrakis(prop-2-enyl)azanium
SMILESC=CC[N+](CC=C)(CC=C)CC=C.S
InChIInChI=1S/C12H20N.H2S/c1-5-9-13(10-6-2,11-7-3)12-8-4;/h5-8H,1-4,9-12H2;1H2/q+1;
InChIKeySEKCQZQGETXPEZ-UHFFFAOYSA-N
XLogP2.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

Diallyldimethylammonium chloride
CID 33286
Triallylamine
CID 7617
Diallylmethylamine
CID 75501
2-Propen-1-amine, N,N-diethyl-
CID 79748
2-Butenyldiamine, N,N,N',N'-tetraethyl-
CID 66922
2-Propen-1-aminium, N,N,N-tri-2-propen-1-yl-, chloride (1:1)
CID 11264347
Allyltriethylammonium iodide
CID 20151
2-Propen-1-aminium, N,N,N-triethyl-, bromide (1:1)
CID 122377
2-Propen-1-aminium, N,N-diethyl-N-2-propen-1-yl-, chloride (1:1)
CID 83148
N,N,N',N'-tetraethyl-1,4-diaminobut-2-ene
CID 5370209
2-Propen-1-aminium, N-methyl-N,N-di-2-propen-1-yl-, chloride (1:1)
CID 22019891
N-[[bis(prop-2-enyl)amino]disulfanyl]-N-prop-2-enylprop-2-en-1-amine
CID 14710479

Frequently Asked Questions

What is the IUPAC name of sulfane;tetrakis(prop-2-enyl)azanium?
The IUPAC name of sulfane;tetrakis(prop-2-enyl)azanium (CID 174809251) is sulfane;tetrakis(prop-2-enyl)azanium.
What is the SMILES notation for sulfane;tetrakis(prop-2-enyl)azanium?
The canonical SMILES for sulfane;tetrakis(prop-2-enyl)azanium is C=CC[N+](CC=C)(CC=C)CC=C.S.
What is the InChIKey of sulfane;tetrakis(prop-2-enyl)azanium?
The InChIKey is SEKCQZQGETXPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N.H2S/c1-5-9-13(10-6-2,11-7-3)12-8-4;/h5-8H,1-4,9-12H2;1H2/q+1;.
What are the key properties of sulfane;tetrakis(prop-2-enyl)azanium?
sulfane;tetrakis(prop-2-enyl)azanium has a molecular weight of 212.38 g/mol, XLogP of 2.66, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for sulfane;tetrakis(prop-2-enyl)azanium is sourced from PubChem (CID 174809251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).