2-(2-aminobutan-2-ylsulfanyl)ethanethiol

C6H15NS2 — CID 166668689

IUPAC2-(2-aminobutan-2-ylsulfanyl)ethanethiol
SMILESCCC(C)(N)SCCS
InChIInChI=1S/C6H15NS2/c1-3-6(2,7)9-5-4-8/h8H,3-5,7H2,1-2H3
InChIKeyGGJKDDKMALGLOM-UHFFFAOYSA-N
MW165.33 g/mol
LogP1.73
Rot. Bonds4

About 2-(2-aminobutan-2-ylsulfanyl)ethanethiol

2-(2-aminobutan-2-ylsulfanyl)ethanethiol (PubChem CID 166668689) has the molecular formula C6H15NS2 and a molecular weight of 165.33 g/mol. Its IUPAC name is 2-(2-aminobutan-2-ylsulfanyl)ethanethiol.

Molecular Properties

Compound Name2-(2-aminobutan-2-ylsulfanyl)ethanethiol
PubChem CID166668689
Molecular FormulaC6H15NS2
Molecular Weight165.33 g/mol
Exact Mass165.06
IUPAC Name2-(2-aminobutan-2-ylsulfanyl)ethanethiol
SMILESCCC(C)(N)SCCS
InChIInChI=1S/C6H15NS2/c1-3-6(2,7)9-5-4-8/h8H,3-5,7H2,1-2H3
InChIKeyGGJKDDKMALGLOM-UHFFFAOYSA-N
XLogP1.73
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.33
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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-aminobutan-2-ylsulfanyl)ethanethiol?
The IUPAC name of 2-(2-aminobutan-2-ylsulfanyl)ethanethiol (CID 166668689) is 2-(2-aminobutan-2-ylsulfanyl)ethanethiol.
What is the SMILES notation for 2-(2-aminobutan-2-ylsulfanyl)ethanethiol?
The canonical SMILES for 2-(2-aminobutan-2-ylsulfanyl)ethanethiol is CCC(C)(N)SCCS.
What is the InChIKey of 2-(2-aminobutan-2-ylsulfanyl)ethanethiol?
The InChIKey is GGJKDDKMALGLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NS2/c1-3-6(2,7)9-5-4-8/h8H,3-5,7H2,1-2H3.
What are the key properties of 2-(2-aminobutan-2-ylsulfanyl)ethanethiol?
2-(2-aminobutan-2-ylsulfanyl)ethanethiol has a molecular weight of 165.33 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminobutan-2-ylsulfanyl)ethanethiol is sourced from PubChem (CID 166668689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).