2-amino-1-cyclopropylethanethiol

C5H11NS — CID 146531669

IUPAC2-amino-1-cyclopropylethanethiol
SMILESNCC(S)C1CC1
InChIInChI=1S/C5H11NS/c6-3-5(7)4-1-2-4/h4-5,7H,1-3,6H2
InChIKeyISQHBZKBAISWKB-UHFFFAOYSA-N
MW117.22 g/mol
LogP0.65
Rot. Bonds2

About 2-amino-1-cyclopropylethanethiol

2-amino-1-cyclopropylethanethiol (PubChem CID 146531669) has the molecular formula C5H11NS and a molecular weight of 117.22 g/mol. Its IUPAC name is 2-amino-1-cyclopropylethanethiol.

Molecular Properties

Compound Name2-amino-1-cyclopropylethanethiol
PubChem CID146531669
Molecular FormulaC5H11NS
Molecular Weight117.22 g/mol
Exact Mass117.06
IUPAC Name2-amino-1-cyclopropylethanethiol
SMILESNCC(S)C1CC1
InChIInChI=1S/C5H11NS/c6-3-5(7)4-1-2-4/h4-5,7H,1-3,6H2
InChIKeyISQHBZKBAISWKB-UHFFFAOYSA-N
XLogP0.65
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.22
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-cyclopropylethanethiol?
The IUPAC name of 2-amino-1-cyclopropylethanethiol (CID 146531669) is 2-amino-1-cyclopropylethanethiol.
What is the SMILES notation for 2-amino-1-cyclopropylethanethiol?
The canonical SMILES for 2-amino-1-cyclopropylethanethiol is NCC(S)C1CC1.
What is the InChIKey of 2-amino-1-cyclopropylethanethiol?
The InChIKey is ISQHBZKBAISWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS/c6-3-5(7)4-1-2-4/h4-5,7H,1-3,6H2.
What are the key properties of 2-amino-1-cyclopropylethanethiol?
2-amino-1-cyclopropylethanethiol has a molecular weight of 117.22 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-cyclopropylethanethiol is sourced from PubChem (CID 146531669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).