disodium;2-(dimethylamino)ethyl-[dioxido(oxo)-λ6-sulfanylidene]sulfanium

C4H10NNa2O3S2+ — CID 172681382

IUPACdisodium;2-(dimethylamino)ethyl-[dioxido(oxo)-λ6-sulfanylidene]sulfanium
SMILESCN(C)CC[S+]=S(=O)([O-])[O-].[Na+].[Na+]
InChIInChI=1S/C4H11NO3S2.2Na/c1-5(2)3-4-9-10(6,7)8;;/h3-4H2,1-2H3,(H-,6,7,8);;/q;2*+1/p-1
InChIKeyALGSZELKNCHBOB-UHFFFAOYSA-M
MW230.24 g/mol
LogP-6.90
Rot. Bonds3

About disodium;2-(dimethylamino)ethyl-[dioxido(oxo)-λ6-sulfanylidene]sulfanium

disodium;2-(dimethylamino)ethyl-[dioxido(oxo)-λ6-sulfanylidene]sulfanium (PubChem CID 172681382) has the molecular formula C4H10NNa2O3S2+ and a molecular weight of 230.24 g/mol. Its IUPAC name is disodium;2-(dimethylamino)ethyl-[dioxido(oxo)-λ6-sulfanylidene]sulfanium.

Molecular Properties

Compound Namedisodium;2-(dimethylamino)ethyl-[dioxido(oxo)-λ6-sulfanylidene]sulfanium
PubChem CID172681382
Molecular FormulaC4H10NNa2O3S2+
Molecular Weight230.24 g/mol
Exact Mass229.99
IUPAC Namedisodium;2-(dimethylamino)ethyl-[dioxido(oxo)-λ6-sulfanylidene]sulfanium
SMILESCN(C)CC[S+]=S(=O)([O-])[O-].[Na+].[Na+]
InChIInChI=1S/C4H11NO3S2.2Na/c1-5(2)3-4-9-10(6,7)8;;/h3-4H2,1-2H3,(H-,6,7,8);;/q;2*+1/p-1
InChIKeyALGSZELKNCHBOB-UHFFFAOYSA-M
XLogP-6.90
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 5-6.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 disodium;2-(dimethylamino)ethyl-[dioxido(oxo)-λ6-sulfanylidene]sulfanium?
The IUPAC name of disodium;2-(dimethylamino)ethyl-[dioxido(oxo)-λ6-sulfanylidene]sulfanium (CID 172681382) is disodium;2-(dimethylamino)ethyl-[dioxido(oxo)-λ6-sulfanylidene]sulfanium.
What is the SMILES notation for disodium;2-(dimethylamino)ethyl-[dioxido(oxo)-λ6-sulfanylidene]sulfanium?
The canonical SMILES for disodium;2-(dimethylamino)ethyl-[dioxido(oxo)-λ6-sulfanylidene]sulfanium is CN(C)CC[S+]=S(=O)([O-])[O-].[Na+].[Na+].
What is the InChIKey of disodium;2-(dimethylamino)ethyl-[dioxido(oxo)-λ6-sulfanylidene]sulfanium?
The InChIKey is ALGSZELKNCHBOB-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H11NO3S2.2Na/c1-5(2)3-4-9-10(6,7)8;;/h3-4H2,1-2H3,(H-,6,7,8);;/q;2*+1/p-1.
What are the key properties of disodium;2-(dimethylamino)ethyl-[dioxido(oxo)-λ6-sulfanylidene]sulfanium?
disodium;2-(dimethylamino)ethyl-[dioxido(oxo)-λ6-sulfanylidene]sulfanium has a molecular weight of 230.24 g/mol, XLogP of -6.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;2-(dimethylamino)ethyl-[dioxido(oxo)-λ6-sulfanylidene]sulfanium is sourced from PubChem (CID 172681382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).