2-[2-(diethylamino)ethyl-(2-sulfanylethyl)amino]ethanethiol;hydrochloride

C10H25ClN2S2 — CID 158826540

IUPAC2-[2-(diethylamino)ethyl-(2-sulfanylethyl)amino]ethanethiol;hydrochloride
SMILESCCN(CC)CCN(CCS)CCS.Cl
InChIInChI=1S/C10H24N2S2.ClH/c1-3-11(4-2)5-6-12(7-9-13)8-10-14;/h13-14H,3-10H2,1-2H3;1H
InChIKeyIWNHLIULJSQLNL-UHFFFAOYSA-N
MW272.91 g/mol
LogP1.91
Rot. Bonds9

About 2-[2-(diethylamino)ethyl-(2-sulfanylethyl)amino]ethanethiol;hydrochloride

2-[2-(diethylamino)ethyl-(2-sulfanylethyl)amino]ethanethiol;hydrochloride (PubChem CID 158826540) has the molecular formula C10H25ClN2S2 and a molecular weight of 272.91 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethyl-(2-sulfanylethyl)amino]ethanethiol;hydrochloride.

Molecular Properties

Compound Name2-[2-(diethylamino)ethyl-(2-sulfanylethyl)amino]ethanethiol;hydrochloride
PubChem CID158826540
Molecular FormulaC10H25ClN2S2
Molecular Weight272.91 g/mol
Exact Mass272.11
IUPAC Name2-[2-(diethylamino)ethyl-(2-sulfanylethyl)amino]ethanethiol;hydrochloride
SMILESCCN(CC)CCN(CCS)CCS.Cl
InChIInChI=1S/C10H24N2S2.ClH/c1-3-11(4-2)5-6-12(7-9-13)8-10-14;/h13-14H,3-10H2,1-2H3;1H
InChIKeyIWNHLIULJSQLNL-UHFFFAOYSA-N
XLogP1.91
TPSA6.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.91
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-(diethylamino)ethyl-(2-sulfanylethyl)amino]ethanethiol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-aminoethanethiol;2-(diethylamino)ethanethiol;dihydrochloride
CID 174516424
cadmium(2+);2-(diethylamino)ethanethiol;diacetate
CID 157171436
2-[2-aminoethyl(ethyl)amino]ethanethiol
CID 145098138
N',N'-diethyl-N,N-dimethylethane-1,2-diamine;ethane
CID 143296680
dicopper;dioxidanium;bis(N,N,N',N'-tetraethylethane-1,2-diamine)
CID 4558005
2-[2-aminoethyl-[2-[2-aminoethyl(2-sulfanylethyl)amino]ethyl]amino]ethanethiol
CID 20693626
2-[bis[2-(diethylamino)ethyl]amino]ethanol
CID 154212558
N',N'-dibutyl-N,N-diethylethane-1,2-diamine
CID 91548124
N'-(2-aminoethyl)-N'-[2-(diethylamino)ethyl]ethane-1,2-diamine
CID 107912667
N-ethyl-N,N',N'-tripropylethane-1,2-diamine
CID 88655813
alumane;N,N-diethylethanamine;hydrochloride
CID 173388642
N,N-diethylethanamine;zinc;dihydrochloride
CID 175296051

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethyl-(2-sulfanylethyl)amino]ethanethiol;hydrochloride?
The IUPAC name of 2-[2-(diethylamino)ethyl-(2-sulfanylethyl)amino]ethanethiol;hydrochloride (CID 158826540) is 2-[2-(diethylamino)ethyl-(2-sulfanylethyl)amino]ethanethiol;hydrochloride.
What is the SMILES notation for 2-[2-(diethylamino)ethyl-(2-sulfanylethyl)amino]ethanethiol;hydrochloride?
The canonical SMILES for 2-[2-(diethylamino)ethyl-(2-sulfanylethyl)amino]ethanethiol;hydrochloride is CCN(CC)CCN(CCS)CCS.Cl.
What is the InChIKey of 2-[2-(diethylamino)ethyl-(2-sulfanylethyl)amino]ethanethiol;hydrochloride?
The InChIKey is IWNHLIULJSQLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2S2.ClH/c1-3-11(4-2)5-6-12(7-9-13)8-10-14;/h13-14H,3-10H2,1-2H3;1H.
What are the key properties of 2-[2-(diethylamino)ethyl-(2-sulfanylethyl)amino]ethanethiol;hydrochloride?
2-[2-(diethylamino)ethyl-(2-sulfanylethyl)amino]ethanethiol;hydrochloride has a molecular weight of 272.91 g/mol, XLogP of 1.91, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethyl-(2-sulfanylethyl)amino]ethanethiol;hydrochloride is sourced from PubChem (CID 158826540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).