tris(diethylamino)sulfanium

C12H30N3S+ — CID 10361193

IUPACtris(diethylamino)sulfanium
SMILESCCN(CC)[S+](N(CC)CC)N(CC)CC
InChIInChI=1S/C12H30N3S/c1-7-13(8-2)16(14(9-3)10-4)15(11-5)12-6/h7-12H2,1-6H3/q+1
InChIKeyHIHYQHFFHYZPMR-UHFFFAOYSA-N
MW248.46 g/mol
LogP2.38
Rot. Bonds9

About tris(diethylamino)sulfanium

tris(diethylamino)sulfanium (PubChem CID 10361193) has the molecular formula C12H30N3S+ and a molecular weight of 248.46 g/mol. Its IUPAC name is tris(diethylamino)sulfanium.

Molecular Properties

Compound Nametris(diethylamino)sulfanium
PubChem CID10361193
Molecular FormulaC12H30N3S+
Molecular Weight248.46 g/mol
Exact Mass248.22
IUPAC Nametris(diethylamino)sulfanium
SMILESCCN(CC)[S+](N(CC)CC)N(CC)CC
InChIInChI=1S/C12H30N3S/c1-7-13(8-2)16(14(9-3)10-4)15(11-5)12-6/h7-12H2,1-6H3/q+1
InChIKeyHIHYQHFFHYZPMR-UHFFFAOYSA-N
XLogP2.38
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.46
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-Dithiobisdiethylamine
CID 139950
Sulphinylbis(diethylamide)
CID 118519
Phosphorothioic triamide, hexaethyl-
CID 551877
Sulfane;tetraethylazanium
CID 18424526
Gallium diethylamide
CID 134068145
N-[diethylamino(difluoro)-lambda4-sulfanyl]-N-ethylethanamine
CID 14203340
Sulfoxylic diamide, tetraethyl-
CID 12243919
N,N,N',N'-Tetraethyl-1,1-dimethylstannanediamine
CID 12655953
ZINC bis(di-ethylamide)
CID 11042012
Hexaethylarsenous triamide
CID 12909455
N-[bis(diethylamino)bismuthanyl]-N-ethylethanamine
CID 13775336
Magnesium-diethylamide
CID 15502537

Frequently Asked Questions

What is the IUPAC name of tris(diethylamino)sulfanium?
The IUPAC name of tris(diethylamino)sulfanium (CID 10361193) is tris(diethylamino)sulfanium.
What is the SMILES notation for tris(diethylamino)sulfanium?
The canonical SMILES for tris(diethylamino)sulfanium is CCN(CC)[S+](N(CC)CC)N(CC)CC.
What is the InChIKey of tris(diethylamino)sulfanium?
The InChIKey is HIHYQHFFHYZPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30N3S/c1-7-13(8-2)16(14(9-3)10-4)15(11-5)12-6/h7-12H2,1-6H3/q+1.
What are the key properties of tris(diethylamino)sulfanium?
tris(diethylamino)sulfanium has a molecular weight of 248.46 g/mol, XLogP of 2.38, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(diethylamino)sulfanium is sourced from PubChem (CID 10361193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).