1-ethylsulfanyl-N-(2-ethylsulfanylethyl)ethane-1,2-diamine

C8H20N2S2 — CID 87851774

IUPAC1-ethylsulfanyl-N-(2-ethylsulfanylethyl)ethane-1,2-diamine
SMILESCCSCCNC(CN)SCC
InChIInChI=1S/C8H20N2S2/c1-3-11-6-5-10-8(7-9)12-4-2/h8,10H,3-7,9H2,1-2H3
InChIKeyWYEQIVRJPGAYOP-UHFFFAOYSA-N
MW208.40 g/mol
LogP1.37
Rot. Bonds8

About 1-ethylsulfanyl-N-(2-ethylsulfanylethyl)ethane-1,2-diamine

1-ethylsulfanyl-N-(2-ethylsulfanylethyl)ethane-1,2-diamine (PubChem CID 87851774) has the molecular formula C8H20N2S2 and a molecular weight of 208.40 g/mol. Its IUPAC name is 1-ethylsulfanyl-N-(2-ethylsulfanylethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-ethylsulfanyl-N-(2-ethylsulfanylethyl)ethane-1,2-diamine
PubChem CID87851774
Molecular FormulaC8H20N2S2
Molecular Weight208.40 g/mol
Exact Mass208.11
IUPAC Name1-ethylsulfanyl-N-(2-ethylsulfanylethyl)ethane-1,2-diamine
SMILESCCSCCNC(CN)SCC
InChIInChI=1S/C8H20N2S2/c1-3-11-6-5-10-8(7-9)12-4-2/h8,10H,3-7,9H2,1-2H3
InChIKeyWYEQIVRJPGAYOP-UHFFFAOYSA-N
XLogP1.37
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.40
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-N-(2-ethylsulfanylethyl)ethane-1,2-diamine?
The IUPAC name of 1-ethylsulfanyl-N-(2-ethylsulfanylethyl)ethane-1,2-diamine (CID 87851774) is 1-ethylsulfanyl-N-(2-ethylsulfanylethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-ethylsulfanyl-N-(2-ethylsulfanylethyl)ethane-1,2-diamine?
The canonical SMILES for 1-ethylsulfanyl-N-(2-ethylsulfanylethyl)ethane-1,2-diamine is CCSCCNC(CN)SCC.
What is the InChIKey of 1-ethylsulfanyl-N-(2-ethylsulfanylethyl)ethane-1,2-diamine?
The InChIKey is WYEQIVRJPGAYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2S2/c1-3-11-6-5-10-8(7-9)12-4-2/h8,10H,3-7,9H2,1-2H3.
What are the key properties of 1-ethylsulfanyl-N-(2-ethylsulfanylethyl)ethane-1,2-diamine?
1-ethylsulfanyl-N-(2-ethylsulfanylethyl)ethane-1,2-diamine has a molecular weight of 208.40 g/mol, XLogP of 1.37, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-N-(2-ethylsulfanylethyl)ethane-1,2-diamine is sourced from PubChem (CID 87851774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).