2-aminoethanethiol;2-(diethylamino)ethanethiol;dihydrochloride

C8H24Cl2N2S2 — CID 174516424

IUPAC2-aminoethanethiol;2-(diethylamino)ethanethiol;dihydrochloride
SMILESCCN(CC)CCS.Cl.Cl.NCCS
InChIInChI=1S/C6H15NS.C2H7NS.2ClH/c1-3-7(4-2)5-6-8;3-1-2-4;;/h8H,3-6H2,1-2H3;4H,1-3H2;2*1H
InChIKeyJBSKWZFFKIPURR-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.98
Rot. Bonds5

About 2-aminoethanethiol;2-(diethylamino)ethanethiol;dihydrochloride

2-aminoethanethiol;2-(diethylamino)ethanethiol;dihydrochloride (PubChem CID 174516424) has the molecular formula C8H24Cl2N2S2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-aminoethanethiol;2-(diethylamino)ethanethiol;dihydrochloride.

Molecular Properties

Compound Name2-aminoethanethiol;2-(diethylamino)ethanethiol;dihydrochloride
PubChem CID174516424
Molecular FormulaC8H24Cl2N2S2
Molecular Weight283.33 g/mol
Exact Mass282.08
IUPAC Name2-aminoethanethiol;2-(diethylamino)ethanethiol;dihydrochloride
SMILESCCN(CC)CCS.Cl.Cl.NCCS
InChIInChI=1S/C6H15NS.C2H7NS.2ClH/c1-3-7(4-2)5-6-8;3-1-2-4;;/h8H,3-6H2,1-2H3;4H,1-3H2;2*1H
InChIKeyJBSKWZFFKIPURR-UHFFFAOYSA-N
XLogP1.98
TPSA29.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-aminoethyl(ethyl)amino]ethanethiol
CID 145098138
2-[2-(diethylamino)ethyl-(2-sulfanylethyl)amino]ethanethiol;hydrochloride
CID 158826540
2-[2-aminoethyl-[2-[2-aminoethyl(2-sulfanylethyl)amino]ethyl]amino]ethanethiol
CID 20693626
N'-(2-aminoethyl)-N'-[2-(diethylamino)ethyl]ethane-1,2-diamine
CID 107912667
cadmium(2+);2-(diethylamino)ethanethiol;diacetate
CID 157171436
N',N'-diethylnonane-1,9-diamine
CID 22055140
N'-[2-(dimethylamino)ethyl]-N'-ethylethane-1,2-diamine;ethane
CID 143734586
N'-[2-[bis(2-aminoethyl)amino]ethyl]-N'-ethylethane-1,2-diamine
CID 157466747
acetic acid;N',N'-diethylethane-1,2-diamine
CID 175226296
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N,N,N',N'-tetraethylethane-1,2-diamine
CID 87350577
N',N'-diethylpropane-1,3-diamine;docosane
CID 174486105
N',N'-diethyl-N,N-dimethylethane-1,2-diamine;ethane
CID 143296680

Frequently Asked Questions

What is the IUPAC name of 2-aminoethanethiol;2-(diethylamino)ethanethiol;dihydrochloride?
The IUPAC name of 2-aminoethanethiol;2-(diethylamino)ethanethiol;dihydrochloride (CID 174516424) is 2-aminoethanethiol;2-(diethylamino)ethanethiol;dihydrochloride.
What is the SMILES notation for 2-aminoethanethiol;2-(diethylamino)ethanethiol;dihydrochloride?
The canonical SMILES for 2-aminoethanethiol;2-(diethylamino)ethanethiol;dihydrochloride is CCN(CC)CCS.Cl.Cl.NCCS.
What is the InChIKey of 2-aminoethanethiol;2-(diethylamino)ethanethiol;dihydrochloride?
The InChIKey is JBSKWZFFKIPURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NS.C2H7NS.2ClH/c1-3-7(4-2)5-6-8;3-1-2-4;;/h8H,3-6H2,1-2H3;4H,1-3H2;2*1H.
What are the key properties of 2-aminoethanethiol;2-(diethylamino)ethanethiol;dihydrochloride?
2-aminoethanethiol;2-(diethylamino)ethanethiol;dihydrochloride has a molecular weight of 283.33 g/mol, XLogP of 1.98, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanethiol;2-(diethylamino)ethanethiol;dihydrochloride is sourced from PubChem (CID 174516424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).