dipotassium;2-nitroethene-1,1-dithiol

C2H3K2NO2S2+2 — CID 136799546

IUPACdipotassium;2-nitroethene-1,1-dithiol
SMILESO=[N+]([O-])C=C(S)S.[K+].[K+]
InChIInChI=1S/C2H3NO2S2.2K/c4-3(5)1-2(6)7;;/h1,6-7H;;/q;2*+1
InChIKeyNLOLYGOJQHBROF-UHFFFAOYSA-N
MW215.38 g/mol
LogP-5.07
Rot. Bonds1

About dipotassium;2-nitroethene-1,1-dithiol

dipotassium;2-nitroethene-1,1-dithiol (PubChem CID 136799546) has the molecular formula C2H3K2NO2S2+2 and a molecular weight of 215.38 g/mol. Its IUPAC name is dipotassium;2-nitroethene-1,1-dithiol.

Molecular Properties

Compound Namedipotassium;2-nitroethene-1,1-dithiol
PubChem CID136799546
Molecular FormulaC2H3K2NO2S2+2
Molecular Weight215.38 g/mol
Exact Mass214.89
IUPAC Namedipotassium;2-nitroethene-1,1-dithiol
SMILESO=[N+]([O-])C=C(S)S.[K+].[K+]
InChIInChI=1S/C2H3NO2S2.2K/c4-3(5)1-2(6)7;;/h1,6-7H;;/q;2*+1
InChIKeyNLOLYGOJQHBROF-UHFFFAOYSA-N
XLogP-5.07
TPSA43.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 5-5.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-nitrobut-1-ene-2-thiol
CID 175323961
2,3-dimethyl-1,4-dinitrobuta-1,3-diene
CID 71423642
bis((2-nitro-1-sulfaniumylethenyl)sulfanium);platinum(2+)
CID 4223018
sodium (Z)-1-nitroprop-1-en-2-olate
CID 84818696
2,4-dimethyl-3-(nitromethylidene)pentane
CID 59382813
potassium 1-benzylsulfanyl-2-nitroethenethiol
CID 74086896
tripentacontapotassium;pentakis(nitric acid)
CID 173441316
1-hydrazinyl-2-nitroethenol
CID 4222823
potassium 2,2-dinitroacetate
CID 23331485
(E)-2-iodo-3,3-dimethyl-1-nitrobut-1-ene
CID 134875400
dipotassium;(2-dioxidoazaniumylidene-1,2-dinitroethylidene)-dioxidoazanium
CID 12619311
potassium;hydride;tetrakis(nitric acid)
CID 173316593

Frequently Asked Questions

What is the IUPAC name of dipotassium;2-nitroethene-1,1-dithiol?
The IUPAC name of dipotassium;2-nitroethene-1,1-dithiol (CID 136799546) is dipotassium;2-nitroethene-1,1-dithiol.
What is the SMILES notation for dipotassium;2-nitroethene-1,1-dithiol?
The canonical SMILES for dipotassium;2-nitroethene-1,1-dithiol is O=[N+]([O-])C=C(S)S.[K+].[K+].
What is the InChIKey of dipotassium;2-nitroethene-1,1-dithiol?
The InChIKey is NLOLYGOJQHBROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3NO2S2.2K/c4-3(5)1-2(6)7;;/h1,6-7H;;/q;2*+1.
What are the key properties of dipotassium;2-nitroethene-1,1-dithiol?
dipotassium;2-nitroethene-1,1-dithiol has a molecular weight of 215.38 g/mol, XLogP of -5.07, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;2-nitroethene-1,1-dithiol is sourced from PubChem (CID 136799546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).