bis(2-(dimethylamino)ethanethiol);nickel

C8H22N2NiS2 — CID 88845400

IUPACbis(2-(dimethylamino)ethanethiol);nickel
SMILESCN(C)CCS.CN(C)CCS.[Ni]
InChIInChI=1S/2C4H11NS.Ni/c2*1-5(2)3-4-6;/h2*6H,3-4H2,1-2H3;
InChIKeyAOHOOSQRQSHQMD-UHFFFAOYSA-N
MW269.10 g/mol
LogP0.95
Rot. Bonds4

About bis(2-(dimethylamino)ethanethiol);nickel

bis(2-(dimethylamino)ethanethiol);nickel (PubChem CID 88845400) has the molecular formula C8H22N2NiS2 and a molecular weight of 269.10 g/mol. Its IUPAC name is bis(2-(dimethylamino)ethanethiol);nickel.

Molecular Properties

Compound Namebis(2-(dimethylamino)ethanethiol);nickel
PubChem CID88845400
Molecular FormulaC8H22N2NiS2
Molecular Weight269.10 g/mol
Exact Mass268.06
IUPAC Namebis(2-(dimethylamino)ethanethiol);nickel
SMILESCN(C)CCS.CN(C)CCS.[Ni]
InChIInChI=1S/2C4H11NS.Ni/c2*1-5(2)3-4-6;/h2*6H,3-4H2,1-2H3;
InChIKeyAOHOOSQRQSHQMD-UHFFFAOYSA-N
XLogP0.95
TPSA6.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-(dimethylamino)ethanethiol;methanesulfonic acid
CID 23033854
CID 88826921
CID 88826921
CID 175787026
CID 175787026
CID 173338058
CID 173338058
N,N,N',N'-tetramethylethane-1,2-diamine;tin(2+);dichloride
CID 174892768
copper;bis(N,N,N',N'-tetramethylethane-1,2-diamine);dihydrochloride
CID 173046939
N-methyl-N-(2-sulfanylethyl)formamide
CID 139923648
dicopper;bis(N,N,N',N'-tetramethylethane-1,2-diamine);dichloride;dihydrate
CID 162639278
copper(1+);bis(N,N,N',N'-tetramethylethane-1,2-diamine);chloride;hydrate
CID 173148949
N,N,N',N'-tetramethylbutane-1,4-diamine;dihydrochloride
CID 20545505
2-[3-fluoropropyl(methyl)amino]ethanethiol
CID 58986379
2-chloroacetic acid;2-(dimethylamino)ethanethiol;2-[2-(dimethylamino)ethylsulfanyl]acetic acid
CID 158077404

Frequently Asked Questions

What is the IUPAC name of bis(2-(dimethylamino)ethanethiol);nickel?
The IUPAC name of bis(2-(dimethylamino)ethanethiol);nickel (CID 88845400) is bis(2-(dimethylamino)ethanethiol);nickel.
What is the SMILES notation for bis(2-(dimethylamino)ethanethiol);nickel?
The canonical SMILES for bis(2-(dimethylamino)ethanethiol);nickel is CN(C)CCS.CN(C)CCS.[Ni].
What is the InChIKey of bis(2-(dimethylamino)ethanethiol);nickel?
The InChIKey is AOHOOSQRQSHQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H11NS.Ni/c2*1-5(2)3-4-6;/h2*6H,3-4H2,1-2H3;.
What are the key properties of bis(2-(dimethylamino)ethanethiol);nickel?
bis(2-(dimethylamino)ethanethiol);nickel has a molecular weight of 269.10 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(dimethylamino)ethanethiol);nickel is sourced from PubChem (CID 88845400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).