ethylphosphane;trimethyl(2-sulfanylethyl)azanium

C7H21NPS+ — CID 174991084

IUPACethylphosphane;trimethyl(2-sulfanylethyl)azanium
SMILESCCP.C[N+](C)(C)CCS
InChIInChI=1S/C5H13NS.C2H7P/c1-6(2,3)4-5-7;1-2-3/h4-5H2,1-3H3;2-3H2,1H3/p+1
InChIKeyLESKOGLTOCIZPY-UHFFFAOYSA-O
MW182.29 g/mol
LogP1.50
Rot. Bonds2

About ethylphosphane;trimethyl(2-sulfanylethyl)azanium

ethylphosphane;trimethyl(2-sulfanylethyl)azanium (PubChem CID 174991084) has the molecular formula C7H21NPS+ and a molecular weight of 182.29 g/mol. Its IUPAC name is ethylphosphane;trimethyl(2-sulfanylethyl)azanium.

Molecular Properties

Compound Nameethylphosphane;trimethyl(2-sulfanylethyl)azanium
PubChem CID174991084
Molecular FormulaC7H21NPS+
Molecular Weight182.29 g/mol
Exact Mass182.11
IUPAC Nameethylphosphane;trimethyl(2-sulfanylethyl)azanium
SMILESCCP.C[N+](C)(C)CCS
InChIInChI=1S/C5H13NS.C2H7P/c1-6(2,3)4-5-7;1-2-3/h4-5H2,1-3H3;2-3H2,1H3/p+1
InChIKeyLESKOGLTOCIZPY-UHFFFAOYSA-O
XLogP1.50
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

acetic acid;trimethyl(2-sulfanylethyl)azanium;chloride
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2-aminoethyl(trimethyl)azanium hydroxide
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trimethyl-[2-(3-sulfanylpropanoyloxy)ethyl]azanium
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Frequently Asked Questions

What is the IUPAC name of ethylphosphane;trimethyl(2-sulfanylethyl)azanium?
The IUPAC name of ethylphosphane;trimethyl(2-sulfanylethyl)azanium (CID 174991084) is ethylphosphane;trimethyl(2-sulfanylethyl)azanium.
What is the SMILES notation for ethylphosphane;trimethyl(2-sulfanylethyl)azanium?
The canonical SMILES for ethylphosphane;trimethyl(2-sulfanylethyl)azanium is CCP.C[N+](C)(C)CCS.
What is the InChIKey of ethylphosphane;trimethyl(2-sulfanylethyl)azanium?
The InChIKey is LESKOGLTOCIZPY-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H13NS.C2H7P/c1-6(2,3)4-5-7;1-2-3/h4-5H2,1-3H3;2-3H2,1H3/p+1.
What are the key properties of ethylphosphane;trimethyl(2-sulfanylethyl)azanium?
ethylphosphane;trimethyl(2-sulfanylethyl)azanium has a molecular weight of 182.29 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethylphosphane;trimethyl(2-sulfanylethyl)azanium is sourced from PubChem (CID 174991084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).