dipotassium;bis(sulfanylidene)-λ4-sulfane;bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;(4R)-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde;(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-nitroethanol;(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-nitroethanol;hydride;nitromethane;oxido formate;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane

C22H41K2N3O18S12 — CID 160954138

About dipotassium;bis(sulfanylidene)-λ4-sulfane;bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;(4R)-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde;(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-nitroethanol;(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-nitroethanol;hydride;nitromethane;oxido formate;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane

dipotassium;bis(sulfanylidene)-λ4-sulfane;bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;(4R)-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde;(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-nitroethanol;(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-nitroethanol;hydride;nitromethane;oxido formate;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane (PubChem CID 160954138) has the molecular formula C22H41K2N3O18S12 and a molecular weight of 1098.57 g/mol. Its IUPAC name is dipotassium;bis(sulfanylidene)-λ4-sulfane;bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;(4R)-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde;(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-nitroethanol;(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-nitroethanol;hydride;nitromethane;oxido formate;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane.

Molecular Properties

• Compound Name: dipotassium;bis(sulfanylidene)-λ4-sulfane;bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;(4R)-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde;(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-nitroethanol;(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-nitroethanol;hydride;nitromethane;oxido formate;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane
• PubChem CID: 160954138
• Molecular Formula: C22H41K2N3O18S12
• Molecular Weight: 1098.57 g/mol
• Exact Mass: 1096.83
• IUPAC Name: dipotassium;bis(sulfanylidene)-λ4-sulfane;bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;(4R)-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde;(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-nitroethanol;(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-nitroethanol;hydride;nitromethane;oxido formate;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane
• SMILES: CC1(C)OC[C@H](C=O)O1.CC1(C)OC[C@H]([C@@H](O)C[N+](=O)[O-])O1.CC1(C)OC[C@H]([C@H](O)C[N+](=O)[O-])O1.C[N+](=O)[O-].O=CO[O-].S=S=S.S=S=S=S.S=S=S=S=S.[H-].[K+].[K+]
• InChI: InChI=1S/2C7H13NO5.C6H10O3.CH3NO2.CH2O3.2K.S5.S4.S3.H/c2*1-7(2)12-4-6(13-7)5(9)3-8(10)11;1-6(2)8-4-5(3-7)9-6;1-2(3)4;2-1-4-3;;;1-3-5-4-2;1-3-4-2;1-3-2;/h2*5-6,9H,3-4H2,1-2H3;3,5H,4H2,1-2H3;1H3;1,3H;;;;;;/q;;;;;2*+1;;;;-1/p-1/t5-,6+;5-,6-;5-;;;;;;;;/m010......../s1
• InChIKey: KRVBKTKYGYIPTK-WXEDWYJJSA-M
• XLogP: -7.69
• TPSA: 291.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 24
• Rotatable Bonds: 8
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1098.57
LogP ≤ 5	-7.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dipotassium;bis(sulfanylidene)-λ4-sulfane;bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;(4R)-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde;(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-nitroethanol;(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-nitroethanol;hydride;nitromethane;oxido formate;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane?

The IUPAC name of dipotassium;bis(sulfanylidene)-λ4-sulfane;bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;(4R)-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde;(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-nitroethanol;(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-nitroethanol;hydride;nitromethane;oxido formate;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane (CID 160954138) is dipotassium;bis(sulfanylidene)-λ4-sulfane;bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;(4R)-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde;(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-nitroethanol;(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-nitroethanol;hydride;nitromethane;oxido formate;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane.

What is the SMILES notation for dipotassium;bis(sulfanylidene)-λ4-sulfane;bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;(4R)-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde;(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-nitroethanol;(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-nitroethanol;hydride;nitromethane;oxido formate;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane?

The canonical SMILES for dipotassium;bis(sulfanylidene)-λ4-sulfane;bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;(4R)-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde;(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-nitroethanol;(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-nitroethanol;hydride;nitromethane;oxido formate;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane is CC1(C)OC[C@H](C=O)O1.CC1(C)OC[C@H]([C@@H](O)C[N+](=O)[O-])O1.CC1(C)OC[C@H]([C@H](O)C[N+](=O)[O-])O1.C[N+](=O)[O-].O=CO[O-].S=S=S.S=S=S=S.S=S=S=S=S.[H-].[K+].[K+].

What is the InChIKey of dipotassium;bis(sulfanylidene)-λ4-sulfane;bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;(4R)-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde;(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-nitroethanol;(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-nitroethanol;hydride;nitromethane;oxido formate;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane?

The InChIKey is KRVBKTKYGYIPTK-WXEDWYJJSA-M. The full InChI is InChI=1S/2C7H13NO5.C6H10O3.CH3NO2.CH2O3.2K.S5.S4.S3.H/c2*1-7(2)12-4-6(13-7)5(9)3-8(10)11;1-6(2)8-4-5(3-7)9-6;1-2(3)4;2-1-4-3;;;1-3-5-4-2;1-3-4-2;1-3-2;/h2*5-6,9H,3-4H2,1-2H3;3,5H,4H2,1-2H3;1H3;1,3H;;;;;;/q;;;;;2*+1;;;;-1/p-1/t5-,6+;5-,6-;5-;;;;;;;;/m010......../s1.

What are the key properties of dipotassium;bis(sulfanylidene)-λ4-sulfane;bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;(4R)-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde;(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-nitroethanol;(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-nitroethanol;hydride;nitromethane;oxido formate;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane?

dipotassium;bis(sulfanylidene)-λ4-sulfane;bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;(4R)-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde;(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-nitroethanol;(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-nitroethanol;hydride;nitromethane;oxido formate;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane has a molecular weight of 1098.57 g/mol, XLogP of -7.69, 8 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;bis(sulfanylidene)-λ4-sulfane;bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;(4R)-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde;(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-nitroethanol;(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-nitroethanol;hydride;nitromethane;oxido formate;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane is sourced from PubChem (CID 160954138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).