tris(diethylamino)sulfanium chloride

C12H30ClN3S — CID 11369606

IUPACtris(diethylamino)sulfanium chloride
SMILESCCN(CC)[S+](N(CC)CC)N(CC)CC.[Cl-]
InChIInChI=1S/C12H30N3S.ClH/c1-7-13(8-2)16(14(9-3)10-4)15(11-5)12-6;/h7-12H2,1-6H3;1H/q+1;/p-1
InChIKeyZZTOWHCYHXLIHZ-UHFFFAOYSA-M
MW283.91 g/mol
LogP-0.62
Rot. Bonds9

About tris(diethylamino)sulfanium chloride

tris(diethylamino)sulfanium chloride (PubChem CID 11369606) has the molecular formula C12H30ClN3S and a molecular weight of 283.91 g/mol. Its IUPAC name is tris(diethylamino)sulfanium chloride.

Molecular Properties

Compound Nametris(diethylamino)sulfanium chloride
PubChem CID11369606
Molecular FormulaC12H30ClN3S
Molecular Weight283.91 g/mol
Exact Mass283.18
IUPAC Nametris(diethylamino)sulfanium chloride
SMILESCCN(CC)[S+](N(CC)CC)N(CC)CC.[Cl-]
InChIInChI=1S/C12H30N3S.ClH/c1-7-13(8-2)16(14(9-3)10-4)15(11-5)12-6;/h7-12H2,1-6H3;1H/q+1;/p-1
InChIKeyZZTOWHCYHXLIHZ-UHFFFAOYSA-M
XLogP-0.62
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.91
LogP ≤ 5-0.62
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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Frequently Asked Questions

What is the IUPAC name of tris(diethylamino)sulfanium chloride?
The IUPAC name of tris(diethylamino)sulfanium chloride (CID 11369606) is tris(diethylamino)sulfanium chloride.
What is the SMILES notation for tris(diethylamino)sulfanium chloride?
The canonical SMILES for tris(diethylamino)sulfanium chloride is CCN(CC)[S+](N(CC)CC)N(CC)CC.[Cl-].
What is the InChIKey of tris(diethylamino)sulfanium chloride?
The InChIKey is ZZTOWHCYHXLIHZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H30N3S.ClH/c1-7-13(8-2)16(14(9-3)10-4)15(11-5)12-6;/h7-12H2,1-6H3;1H/q+1;/p-1.
What are the key properties of tris(diethylamino)sulfanium chloride?
tris(diethylamino)sulfanium chloride has a molecular weight of 283.91 g/mol, XLogP of -0.62, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(diethylamino)sulfanium chloride is sourced from PubChem (CID 11369606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).