2-[[(E)-prop-1-enyl]amino]ethanethiol

C5H11NS — CID 163624346

IUPAC2-[[(E)-prop-1-enyl]amino]ethanethiol
SMILESC/C=C/NCCS
InChIInChI=1S/C5H11NS/c1-2-3-6-4-5-7/h2-3,6-7H,4-5H2,1H3/b3-2+
InChIKeyHQUZEIBCNYJCFX-NSCUHMNNSA-N
MW117.22 g/mol
LogP1.04
Rot. Bonds3

About 2-[[(E)-prop-1-enyl]amino]ethanethiol

2-[[(E)-prop-1-enyl]amino]ethanethiol (PubChem CID 163624346) has the molecular formula C5H11NS and a molecular weight of 117.22 g/mol. Its IUPAC name is 2-[[(E)-prop-1-enyl]amino]ethanethiol.

Molecular Properties

Compound Name2-[[(E)-prop-1-enyl]amino]ethanethiol
PubChem CID163624346
Molecular FormulaC5H11NS
Molecular Weight117.22 g/mol
Exact Mass117.06
IUPAC Name2-[[(E)-prop-1-enyl]amino]ethanethiol
SMILESC/C=C/NCCS
InChIInChI=1S/C5H11NS/c1-2-3-6-4-5-7/h2-3,6-7H,4-5H2,1H3/b3-2+
InChIKeyHQUZEIBCNYJCFX-NSCUHMNNSA-N
XLogP1.04
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.22
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[[(E)-prop-1-enyl]amino]ethanethiol?
The IUPAC name of 2-[[(E)-prop-1-enyl]amino]ethanethiol (CID 163624346) is 2-[[(E)-prop-1-enyl]amino]ethanethiol.
What is the SMILES notation for 2-[[(E)-prop-1-enyl]amino]ethanethiol?
The canonical SMILES for 2-[[(E)-prop-1-enyl]amino]ethanethiol is C/C=C/NCCS.
What is the InChIKey of 2-[[(E)-prop-1-enyl]amino]ethanethiol?
The InChIKey is HQUZEIBCNYJCFX-NSCUHMNNSA-N. The full InChI is InChI=1S/C5H11NS/c1-2-3-6-4-5-7/h2-3,6-7H,4-5H2,1H3/b3-2+.
What are the key properties of 2-[[(E)-prop-1-enyl]amino]ethanethiol?
2-[[(E)-prop-1-enyl]amino]ethanethiol has a molecular weight of 117.22 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-prop-1-enyl]amino]ethanethiol is sourced from PubChem (CID 163624346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).