1-(ethyldisulfanyl)ethanamine

C4H11NS2 — CID 89147377

IUPAC1-(ethyldisulfanyl)ethanamine
SMILESCCSSC(C)N
InChIInChI=1S/C4H11NS2/c1-3-6-7-4(2)5/h4H,3,5H2,1-2H3
InChIKeyRYIJRJMBOPSFQZ-UHFFFAOYSA-N
MW137.27 g/mol
LogP1.69
Rot. Bonds3

About 1-(ethyldisulfanyl)ethanamine

1-(ethyldisulfanyl)ethanamine (PubChem CID 89147377) has the molecular formula C4H11NS2 and a molecular weight of 137.27 g/mol. Its IUPAC name is 1-(ethyldisulfanyl)ethanamine.

Molecular Properties

Compound Name1-(ethyldisulfanyl)ethanamine
PubChem CID89147377
Molecular FormulaC4H11NS2
Molecular Weight137.27 g/mol
Exact Mass137.03
IUPAC Name1-(ethyldisulfanyl)ethanamine
SMILESCCSSC(C)N
InChIInChI=1S/C4H11NS2/c1-3-6-7-4(2)5/h4H,3,5H2,1-2H3
InChIKeyRYIJRJMBOPSFQZ-UHFFFAOYSA-N
XLogP1.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.27
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-(ethyldisulfanyl)-3-methylbutane
CID 169266959
ethane;3-(ethyldisulfanyl)-2-methylpentane
CID 169267094
copper;(ethyldisulfanyl)ethane
CID 159600030
1-aminoethyl(triethyl)azanium hydroxide
CID 174922133
1,1,1-trichloro-2-(ethyldisulfanyl)butane
CID 166842417
[1-(ethyldisulfanyl)-2-methylpropyl]benzene
CID 163281708
(2S)-2-amino-3-(ethyldisulfanyl)propanoic acid
CID 46186615
(3S)-3-(ethyldisulfanyl)-1,1,1-trifluoropentane
CID 155048630
2-[4-(ethyldisulfanyl)hexan-2-yl]oxirane
CID 167244542
2-[[(ethyldisulfanyl)-ethylsulfanylmethyl]-propan-2-yloxyphosphoryl]oxypropane
CID 10088168
(ethyldisulfanyl)ethane;(methyldisulfanyl)methane
CID 87339090
(ethyldisulfanyl)ethane;bis((methyldisulfanyl)methane)
CID 159797170

Frequently Asked Questions

What is the IUPAC name of 1-(ethyldisulfanyl)ethanamine?
The IUPAC name of 1-(ethyldisulfanyl)ethanamine (CID 89147377) is 1-(ethyldisulfanyl)ethanamine.
What is the SMILES notation for 1-(ethyldisulfanyl)ethanamine?
The canonical SMILES for 1-(ethyldisulfanyl)ethanamine is CCSSC(C)N.
What is the InChIKey of 1-(ethyldisulfanyl)ethanamine?
The InChIKey is RYIJRJMBOPSFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NS2/c1-3-6-7-4(2)5/h4H,3,5H2,1-2H3.
What are the key properties of 1-(ethyldisulfanyl)ethanamine?
1-(ethyldisulfanyl)ethanamine has a molecular weight of 137.27 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethyldisulfanyl)ethanamine is sourced from PubChem (CID 89147377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).