N-[2-(ethylamino)ethyl]thiohydroxylamine

C4H12N2S — CID 142567023

IUPACN-[2-(ethylamino)ethyl]thiohydroxylamine
SMILESCCNCCNS
InChIInChI=1S/C4H12N2S/c1-2-5-3-4-6-7/h5-7H,2-4H2,1H3
InChIKeyASNNFEVTTGGKBR-UHFFFAOYSA-N
MW120.22 g/mol
LogP0.03
Rot. Bonds4

About N-[2-(ethylamino)ethyl]thiohydroxylamine

N-[2-(ethylamino)ethyl]thiohydroxylamine (PubChem CID 142567023) has the molecular formula C4H12N2S and a molecular weight of 120.22 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]thiohydroxylamine.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]thiohydroxylamine
PubChem CID142567023
Molecular FormulaC4H12N2S
Molecular Weight120.22 g/mol
Exact Mass120.07
IUPAC NameN-[2-(ethylamino)ethyl]thiohydroxylamine
SMILESCCNCCNS
InChIInChI=1S/C4H12N2S/c1-2-5-3-4-6-7/h5-7H,2-4H2,1H3
InChIKeyASNNFEVTTGGKBR-UHFFFAOYSA-N
XLogP0.03
TPSA24.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.22
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Diethylenetriamine
CID 8111
N,N'-Dimethylethylenediamine
CID 8070
1,2-Ethanediamine, N1,N1,N2-trimethyl-
CID 67338
1,2-Ethanediamine, N1,N1-diethyl-N2-methyl-
CID 66034
N-Ethylethylenediamine
CID 66071
1-Propylethylenediamine
CID 66073
1,4,7-Trimethyldiethylenetriamine
CID 66930
N,N'-Diethylethylenediamine
CID 67105
2,5-Diazaheptane
CID 67104
2-Ethylaminoethyldimethylamine
CID 67162
1,2-Ethanediamine, N2-(2-aminoethyl)-N1,N1-dimethyl-
CID 90424
N-Methyl-2,2'-diaminodiethylamine
CID 430288

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]thiohydroxylamine?
The IUPAC name of N-[2-(ethylamino)ethyl]thiohydroxylamine (CID 142567023) is N-[2-(ethylamino)ethyl]thiohydroxylamine.
What is the SMILES notation for N-[2-(ethylamino)ethyl]thiohydroxylamine?
The canonical SMILES for N-[2-(ethylamino)ethyl]thiohydroxylamine is CCNCCNS.
What is the InChIKey of N-[2-(ethylamino)ethyl]thiohydroxylamine?
The InChIKey is ASNNFEVTTGGKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2S/c1-2-5-3-4-6-7/h5-7H,2-4H2,1H3.
What are the key properties of N-[2-(ethylamino)ethyl]thiohydroxylamine?
N-[2-(ethylamino)ethyl]thiohydroxylamine has a molecular weight of 120.22 g/mol, XLogP of 0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]thiohydroxylamine is sourced from PubChem (CID 142567023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).