2-[2-(2-aminoethylamino)ethylsulfanyl]ethanethiol

C6H16N2S2 — CID 10375043

IUPAC2-[2-(2-aminoethylamino)ethylsulfanyl]ethanethiol
SMILESNCCNCCSCCS
InChIInChI=1S/C6H16N2S2/c7-1-2-8-3-5-10-6-4-9/h8-9H,1-7H2
InChIKeyKZJFYOBVXOHKRD-UHFFFAOYSA-N
MW180.34 g/mol
LogP0.20
Rot. Bonds7

About 2-[2-(2-aminoethylamino)ethylsulfanyl]ethanethiol

2-[2-(2-aminoethylamino)ethylsulfanyl]ethanethiol (PubChem CID 10375043) has the molecular formula C6H16N2S2 and a molecular weight of 180.34 g/mol. Its IUPAC name is 2-[2-(2-aminoethylamino)ethylsulfanyl]ethanethiol.

Molecular Properties

Compound Name2-[2-(2-aminoethylamino)ethylsulfanyl]ethanethiol
PubChem CID10375043
Molecular FormulaC6H16N2S2
Molecular Weight180.34 g/mol
Exact Mass180.08
IUPAC Name2-[2-(2-aminoethylamino)ethylsulfanyl]ethanethiol
SMILESNCCNCCSCCS
InChIInChI=1S/C6H16N2S2/c7-1-2-8-3-5-10-6-4-9/h8-9H,1-7H2
InChIKeyKZJFYOBVXOHKRD-UHFFFAOYSA-N
XLogP0.20
TPSA38.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.34
LogP ≤ 50.20
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-(2-aminoethylamino)ethylsulfanyl]ethanethiol?
The IUPAC name of 2-[2-(2-aminoethylamino)ethylsulfanyl]ethanethiol (CID 10375043) is 2-[2-(2-aminoethylamino)ethylsulfanyl]ethanethiol.
What is the SMILES notation for 2-[2-(2-aminoethylamino)ethylsulfanyl]ethanethiol?
The canonical SMILES for 2-[2-(2-aminoethylamino)ethylsulfanyl]ethanethiol is NCCNCCSCCS.
What is the InChIKey of 2-[2-(2-aminoethylamino)ethylsulfanyl]ethanethiol?
The InChIKey is KZJFYOBVXOHKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2S2/c7-1-2-8-3-5-10-6-4-9/h8-9H,1-7H2.
What are the key properties of 2-[2-(2-aminoethylamino)ethylsulfanyl]ethanethiol?
2-[2-(2-aminoethylamino)ethylsulfanyl]ethanethiol has a molecular weight of 180.34 g/mol, XLogP of 0.20, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethylamino)ethylsulfanyl]ethanethiol is sourced from PubChem (CID 10375043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).