2-[2-[ethyl(2-sulfanylethyl)amino]ethylamino]ethanethiol

C8H20N2S2 — CID 59912905

IUPAC2-[2-[ethyl(2-sulfanylethyl)amino]ethylamino]ethanethiol
SMILESCCN(CCS)CCNCCS
InChIInChI=1S/C8H20N2S2/c1-2-10(6-8-12)5-3-9-4-7-11/h9,11-12H,2-8H2,1H3
InChIKeyJNLHVVXONLJCGU-UHFFFAOYSA-N
MW208.40 g/mol
LogP0.76
Rot. Bonds8

About 2-[2-[ethyl(2-sulfanylethyl)amino]ethylamino]ethanethiol

2-[2-[ethyl(2-sulfanylethyl)amino]ethylamino]ethanethiol (PubChem CID 59912905) has the molecular formula C8H20N2S2 and a molecular weight of 208.40 g/mol. Its IUPAC name is 2-[2-[ethyl(2-sulfanylethyl)amino]ethylamino]ethanethiol.

Molecular Properties

Compound Name2-[2-[ethyl(2-sulfanylethyl)amino]ethylamino]ethanethiol
PubChem CID59912905
Molecular FormulaC8H20N2S2
Molecular Weight208.40 g/mol
Exact Mass208.11
IUPAC Name2-[2-[ethyl(2-sulfanylethyl)amino]ethylamino]ethanethiol
SMILESCCN(CCS)CCNCCS
InChIInChI=1S/C8H20N2S2/c1-2-10(6-8-12)5-3-9-4-7-11/h9,11-12H,2-8H2,1H3
InChIKeyJNLHVVXONLJCGU-UHFFFAOYSA-N
XLogP0.76
TPSA15.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.40
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[ethyl(2-sulfanylethyl)amino]ethylamino]ethanethiol?
The IUPAC name of 2-[2-[ethyl(2-sulfanylethyl)amino]ethylamino]ethanethiol (CID 59912905) is 2-[2-[ethyl(2-sulfanylethyl)amino]ethylamino]ethanethiol.
What is the SMILES notation for 2-[2-[ethyl(2-sulfanylethyl)amino]ethylamino]ethanethiol?
The canonical SMILES for 2-[2-[ethyl(2-sulfanylethyl)amino]ethylamino]ethanethiol is CCN(CCS)CCNCCS.
What is the InChIKey of 2-[2-[ethyl(2-sulfanylethyl)amino]ethylamino]ethanethiol?
The InChIKey is JNLHVVXONLJCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2S2/c1-2-10(6-8-12)5-3-9-4-7-11/h9,11-12H,2-8H2,1H3.
What are the key properties of 2-[2-[ethyl(2-sulfanylethyl)amino]ethylamino]ethanethiol?
2-[2-[ethyl(2-sulfanylethyl)amino]ethylamino]ethanethiol has a molecular weight of 208.40 g/mol, XLogP of 0.76, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[ethyl(2-sulfanylethyl)amino]ethylamino]ethanethiol is sourced from PubChem (CID 59912905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).