amino 2-[2-(aminodiazenyl)ethylsulfanyl]acetate

C4H10N4O2S — CID 118501066

IUPACamino 2-[2-(aminodiazenyl)ethylsulfanyl]acetate
SMILESN/N=N/CCSCC(=O)ON
InChIInChI=1S/C4H10N4O2S/c5-8-7-1-2-11-3-4(9)10-6/h1-3,6H2,(H2,5,7)
InChIKeyQWTKXHSWQNCORM-UHFFFAOYSA-N
MW178.22 g/mol
LogP-0.54
Rot. Bonds5

About amino 2-[2-(aminodiazenyl)ethylsulfanyl]acetate

amino 2-[2-(aminodiazenyl)ethylsulfanyl]acetate (PubChem CID 118501066) has the molecular formula C4H10N4O2S and a molecular weight of 178.22 g/mol. Its IUPAC name is amino 2-[2-(aminodiazenyl)ethylsulfanyl]acetate.

Molecular Properties

Compound Nameamino 2-[2-(aminodiazenyl)ethylsulfanyl]acetate
PubChem CID118501066
Molecular FormulaC4H10N4O2S
Molecular Weight178.22 g/mol
Exact Mass178.05
IUPAC Nameamino 2-[2-(aminodiazenyl)ethylsulfanyl]acetate
SMILESN/N=N/CCSCC(=O)ON
InChIInChI=1S/C4H10N4O2S/c5-8-7-1-2-11-3-4(9)10-6/h1-3,6H2,(H2,5,7)
InChIKeyQWTKXHSWQNCORM-UHFFFAOYSA-N
XLogP-0.54
TPSA103.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.22
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[2-(2-ethoxy-2-oxoethyl)sulfanylethylsulfanyl]acetate
CID 86061361
ethyl 2-(2-methylsulfonylethylsulfanyl)acetate
CID 60672364
ethyl 2-[3-(2-ethoxy-2-oxoethyl)sulfanylpropylsulfanyl]acetate
CID 121219812
ethyl 2-(2-hydroxyethylsulfanyl)acetate
CID 11030166
methyl 2-[2-(4-aminophenyl)ethylsulfanyl]acetate
CID 43618034
ethyl 2-(2-phosphonooxyethylsulfanyl)acetate
CID 88896715
amino 2-aminoacetate;zinc
CID 87197519
(4-sulfamoylphenyl)methyl 2-(2-nitrooxyethylsulfanyl)acetate
CID 25128966
amino 2-(4-aminophenyl)acetate
CID 66872043
ethyl 2-(3-hydroxy-3-methylbutyl)sulfanylacetate
CID 79176458
dimethyl propanedioate;methanesulfonic acid
CID 172769091
diamino tetradecanedioate
CID 174564109

Frequently Asked Questions

What is the IUPAC name of amino 2-[2-(aminodiazenyl)ethylsulfanyl]acetate?
The IUPAC name of amino 2-[2-(aminodiazenyl)ethylsulfanyl]acetate (CID 118501066) is amino 2-[2-(aminodiazenyl)ethylsulfanyl]acetate.
What is the SMILES notation for amino 2-[2-(aminodiazenyl)ethylsulfanyl]acetate?
The canonical SMILES for amino 2-[2-(aminodiazenyl)ethylsulfanyl]acetate is N/N=N/CCSCC(=O)ON.
What is the InChIKey of amino 2-[2-(aminodiazenyl)ethylsulfanyl]acetate?
The InChIKey is QWTKXHSWQNCORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N4O2S/c5-8-7-1-2-11-3-4(9)10-6/h1-3,6H2,(H2,5,7).
What are the key properties of amino 2-[2-(aminodiazenyl)ethylsulfanyl]acetate?
amino 2-[2-(aminodiazenyl)ethylsulfanyl]acetate has a molecular weight of 178.22 g/mol, XLogP of -0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for amino 2-[2-(aminodiazenyl)ethylsulfanyl]acetate is sourced from PubChem (CID 118501066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).