2-(2-aminoethylsulfanyl)ethanethiol

C4H11NS2 — CID 12539289

IUPAC2-(2-aminoethylsulfanyl)ethanethiol
SMILESNCCSCCS
InChIInChI=1S/C4H11NS2/c5-1-3-7-4-2-6/h6H,1-5H2
InChIKeyQXBDHKSUFXEROK-UHFFFAOYSA-N
MW137.27 g/mol
LogP0.61
Rot. Bonds4

About 2-(2-aminoethylsulfanyl)ethanethiol

2-(2-aminoethylsulfanyl)ethanethiol (PubChem CID 12539289) has the molecular formula C4H11NS2 and a molecular weight of 137.27 g/mol. Its IUPAC name is 2-(2-aminoethylsulfanyl)ethanethiol.

Molecular Properties

Compound Name2-(2-aminoethylsulfanyl)ethanethiol
PubChem CID12539289
Molecular FormulaC4H11NS2
Molecular Weight137.27 g/mol
Exact Mass137.03
IUPAC Name2-(2-aminoethylsulfanyl)ethanethiol
SMILESNCCSCCS
InChIInChI=1S/C4H11NS2/c5-1-3-7-4-2-6/h6H,1-5H2
InChIKeyQXBDHKSUFXEROK-UHFFFAOYSA-N
XLogP0.61
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.27
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-aminoethylsulfanyl)ethanethiol?
The IUPAC name of 2-(2-aminoethylsulfanyl)ethanethiol (CID 12539289) is 2-(2-aminoethylsulfanyl)ethanethiol.
What is the SMILES notation for 2-(2-aminoethylsulfanyl)ethanethiol?
The canonical SMILES for 2-(2-aminoethylsulfanyl)ethanethiol is NCCSCCS.
What is the InChIKey of 2-(2-aminoethylsulfanyl)ethanethiol?
The InChIKey is QXBDHKSUFXEROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NS2/c5-1-3-7-4-2-6/h6H,1-5H2.
What are the key properties of 2-(2-aminoethylsulfanyl)ethanethiol?
2-(2-aminoethylsulfanyl)ethanethiol has a molecular weight of 137.27 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylsulfanyl)ethanethiol is sourced from PubChem (CID 12539289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).