N'-(2-ethylsulfanylethyl)ethane-1,2-diamine;dihydrochloride

C6H18Cl2N2S — CID 45261849

IUPACN'-(2-ethylsulfanylethyl)ethane-1,2-diamine;dihydrochloride
SMILESCCSCCNCCN.Cl.Cl
InChIInChI=1S/C6H16N2S.2ClH/c1-2-9-6-5-8-4-3-7;;/h8H,2-7H2,1H3;2*1H
InChIKeyPLJKKBYDBGTXKN-UHFFFAOYSA-N
MW221.20 g/mol
LogP1.13
Rot. Bonds6

About N'-(2-ethylsulfanylethyl)ethane-1,2-diamine;dihydrochloride

N'-(2-ethylsulfanylethyl)ethane-1,2-diamine;dihydrochloride (PubChem CID 45261849) has the molecular formula C6H18Cl2N2S and a molecular weight of 221.20 g/mol. Its IUPAC name is N'-(2-ethylsulfanylethyl)ethane-1,2-diamine;dihydrochloride.

Molecular Properties

Compound NameN'-(2-ethylsulfanylethyl)ethane-1,2-diamine;dihydrochloride
PubChem CID45261849
Molecular FormulaC6H18Cl2N2S
Molecular Weight221.20 g/mol
Exact Mass220.06
IUPAC NameN'-(2-ethylsulfanylethyl)ethane-1,2-diamine;dihydrochloride
SMILESCCSCCNCCN.Cl.Cl
InChIInChI=1S/C6H16N2S.2ClH/c1-2-9-6-5-8-4-3-7;;/h8H,2-7H2,1H3;2*1H
InChIKeyPLJKKBYDBGTXKN-UHFFFAOYSA-N
XLogP1.13
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.20
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-propylsulfanylethyl)ethane-1,2-diamine;dihydrochloride
CID 45261792
chromium(3+);2-ethylsulfanyl-N-(2-ethylsulfanylethyl)ethanamine;trichloride
CID 139119576
N'-(2-butylsulfanylethyl)ethane-1,2-diamine
CID 11275341
N-(2-ethylsulfanylethyl)hexan-1-amine
CID 62578167
2-ethylsulfanylethanamine;hydrochloride
CID 3016870
6-(2-ethylsulfanylethylamino)hexan-1-ol
CID 104668755
2-ethylsulfanyl-N-(2-prop-2-enylsulfanylethyl)ethanamine
CID 104668793
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;pentahydrochloride
CID 10150970
2-ethylsulfanyl-N-(2-methylsulfinylethyl)ethanamine
CID 104668633
2,5-bis(3-aminopropylamino)-N-(2-ethylsulfanylethyl)pentanamide
CID 88877319
N'-ethylethane-1,2-diamine;hydrochloride
CID 19427140
7-ethylsulfanylheptan-1-amine
CID 153391280

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethylsulfanylethyl)ethane-1,2-diamine;dihydrochloride?
The IUPAC name of N'-(2-ethylsulfanylethyl)ethane-1,2-diamine;dihydrochloride (CID 45261849) is N'-(2-ethylsulfanylethyl)ethane-1,2-diamine;dihydrochloride.
What is the SMILES notation for N'-(2-ethylsulfanylethyl)ethane-1,2-diamine;dihydrochloride?
The canonical SMILES for N'-(2-ethylsulfanylethyl)ethane-1,2-diamine;dihydrochloride is CCSCCNCCN.Cl.Cl.
What is the InChIKey of N'-(2-ethylsulfanylethyl)ethane-1,2-diamine;dihydrochloride?
The InChIKey is PLJKKBYDBGTXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2S.2ClH/c1-2-9-6-5-8-4-3-7;;/h8H,2-7H2,1H3;2*1H.
What are the key properties of N'-(2-ethylsulfanylethyl)ethane-1,2-diamine;dihydrochloride?
N'-(2-ethylsulfanylethyl)ethane-1,2-diamine;dihydrochloride has a molecular weight of 221.20 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethylsulfanylethyl)ethane-1,2-diamine;dihydrochloride is sourced from PubChem (CID 45261849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).