2-[2-aminoethyl(ethyl)amino]ethanethiol

C6H16N2S — CID 145098138

IUPAC2-[2-aminoethyl(ethyl)amino]ethanethiol
SMILESCCN(CCN)CCS
InChIInChI=1S/C6H16N2S/c1-2-8(4-3-7)5-6-9/h9H,2-7H2,1H3
InChIKeyRHNCSOVSTXBRIC-UHFFFAOYSA-N
MW148.28 g/mol
LogP0.20
Rot. Bonds5

About 2-[2-aminoethyl(ethyl)amino]ethanethiol

2-[2-aminoethyl(ethyl)amino]ethanethiol (PubChem CID 145098138) has the molecular formula C6H16N2S and a molecular weight of 148.28 g/mol. Its IUPAC name is 2-[2-aminoethyl(ethyl)amino]ethanethiol.

Molecular Properties

Compound Name2-[2-aminoethyl(ethyl)amino]ethanethiol
PubChem CID145098138
Molecular FormulaC6H16N2S
Molecular Weight148.28 g/mol
Exact Mass148.10
IUPAC Name2-[2-aminoethyl(ethyl)amino]ethanethiol
SMILESCCN(CCN)CCS
InChIInChI=1S/C6H16N2S/c1-2-8(4-3-7)5-6-9/h9H,2-7H2,1H3
InChIKeyRHNCSOVSTXBRIC-UHFFFAOYSA-N
XLogP0.20
TPSA29.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.28
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-aminoethanethiol;2-(diethylamino)ethanethiol;dihydrochloride
CID 174516424
2-[2-aminoethyl-[2-[2-aminoethyl(2-sulfanylethyl)amino]ethyl]amino]ethanethiol
CID 20693626
N'-[2-[bis(2-aminoethyl)amino]ethyl]-N'-ethylethane-1,2-diamine
CID 157466747
N'-[2-(dimethylamino)ethyl]-N'-ethylethane-1,2-diamine;ethane
CID 143734586
N'-(2-aminoethyl)-N'-ethylpropane-1,3-diamine
CID 55289486
N'-(2-aminoethyl)-N'-[2-(diethylamino)ethyl]ethane-1,2-diamine
CID 107912667
2-[2-(diethylamino)ethyl-(2-sulfanylethyl)amino]ethanethiol;hydrochloride
CID 158826540
CID 172703845
CID 172703845
acetic acid;N',N'-diethylethane-1,2-diamine
CID 175226296
N'-(3-aminopropyl)-N'-ethylbutane-1,4-diamine
CID 86127606
N'-(3-aminopropyl)-N'-[3-[3-[bis(3-aminopropyl)amino]propyl-[3-[3-[bis[3-[bis(3-aminopropyl)amino]propyl]amino]propyl-[3-[3-[bis[3-[bis[3-[bis(3-aminopropyl)amino]propyl]amino]propyl]amino]propyl-ethylamino]propyl]amino]propyl]amino]propyl]propane-1,3-diamine
CID 59097400
N'-ethyl-N'-[2-(trifluoromethylsulfanyl)ethyl]ethane-1,2-diamine
CID 103102755

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(ethyl)amino]ethanethiol?
The IUPAC name of 2-[2-aminoethyl(ethyl)amino]ethanethiol (CID 145098138) is 2-[2-aminoethyl(ethyl)amino]ethanethiol.
What is the SMILES notation for 2-[2-aminoethyl(ethyl)amino]ethanethiol?
The canonical SMILES for 2-[2-aminoethyl(ethyl)amino]ethanethiol is CCN(CCN)CCS.
What is the InChIKey of 2-[2-aminoethyl(ethyl)amino]ethanethiol?
The InChIKey is RHNCSOVSTXBRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2S/c1-2-8(4-3-7)5-6-9/h9H,2-7H2,1H3.
What are the key properties of 2-[2-aminoethyl(ethyl)amino]ethanethiol?
2-[2-aminoethyl(ethyl)amino]ethanethiol has a molecular weight of 148.28 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(ethyl)amino]ethanethiol is sourced from PubChem (CID 145098138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).