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

C5H16Cl2N2S — CID 45261818

IUPACN'-(2-methylsulfanylethyl)ethane-1,2-diamine;dihydrochloride
SMILESCSCCNCCN.Cl.Cl
InChIInChI=1S/C5H14N2S.2ClH/c1-8-5-4-7-3-2-6;;/h7H,2-6H2,1H3;2*1H
InChIKeyDBCFNSDAEAWUNJ-UHFFFAOYSA-N
MW207.17 g/mol
LogP0.74
Rot. Bonds5

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

N'-(2-methylsulfanylethyl)ethane-1,2-diamine;dihydrochloride (PubChem CID 45261818) has the molecular formula C5H16Cl2N2S and a molecular weight of 207.17 g/mol. Its IUPAC name is N'-(2-methylsulfanylethyl)ethane-1,2-diamine;dihydrochloride.

Molecular Properties

Compound NameN'-(2-methylsulfanylethyl)ethane-1,2-diamine;dihydrochloride
PubChem CID45261818
Molecular FormulaC5H16Cl2N2S
Molecular Weight207.17 g/mol
Exact Mass206.04
IUPAC NameN'-(2-methylsulfanylethyl)ethane-1,2-diamine;dihydrochloride
SMILESCSCCNCCN.Cl.Cl
InChIInChI=1S/C5H14N2S.2ClH/c1-8-5-4-7-3-2-6;;/h7H,2-6H2,1H3;2*1H
InChIKeyDBCFNSDAEAWUNJ-UHFFFAOYSA-N
XLogP0.74
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.17
LogP ≤ 50.74
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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Frequently Asked Questions

What is the IUPAC name of N'-(2-methylsulfanylethyl)ethane-1,2-diamine;dihydrochloride?
The IUPAC name of N'-(2-methylsulfanylethyl)ethane-1,2-diamine;dihydrochloride (CID 45261818) is N'-(2-methylsulfanylethyl)ethane-1,2-diamine;dihydrochloride.
What is the SMILES notation for N'-(2-methylsulfanylethyl)ethane-1,2-diamine;dihydrochloride?
The canonical SMILES for N'-(2-methylsulfanylethyl)ethane-1,2-diamine;dihydrochloride is CSCCNCCN.Cl.Cl.
What is the InChIKey of N'-(2-methylsulfanylethyl)ethane-1,2-diamine;dihydrochloride?
The InChIKey is DBCFNSDAEAWUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2S.2ClH/c1-8-5-4-7-3-2-6;;/h7H,2-6H2,1H3;2*1H.
What are the key properties of N'-(2-methylsulfanylethyl)ethane-1,2-diamine;dihydrochloride?
N'-(2-methylsulfanylethyl)ethane-1,2-diamine;dihydrochloride has a molecular weight of 207.17 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylsulfanylethyl)ethane-1,2-diamine;dihydrochloride is sourced from PubChem (CID 45261818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).