3-deuterioprop-1-ene;sulfanide;yttrium

C3H6SY-2 — CID 58938152

IUPAC3-deuterioprop-1-ene;sulfanide;yttrium
SMILES[2H]C[C-]=C.[SH-].[Y]
InChIInChI=1S/C3H5.H2S.Y/c1-3-2;;/h1H2,2H3;1H2;/q-1;;/p-1/i2D;;
InChIKeyMRNMJIIIXFKRSG-AIIYCECHSA-M
MW164.06 g/mol
LogP0.72
Rot. Bonds1

About 3-deuterioprop-1-ene;sulfanide;yttrium

3-deuterioprop-1-ene;sulfanide;yttrium (PubChem CID 58938152) has the molecular formula C3H6SY-2 and a molecular weight of 164.06 g/mol. Its IUPAC name is 3-deuterioprop-1-ene;sulfanide;yttrium.

Molecular Properties

Compound Name3-deuterioprop-1-ene;sulfanide;yttrium
PubChem CID58938152
Molecular FormulaC3H6SY-2
Molecular Weight164.06 g/mol
Exact Mass163.93
IUPAC Name3-deuterioprop-1-ene;sulfanide;yttrium
SMILES[2H]C[C-]=C.[SH-].[Y]
InChIInChI=1S/C3H5.H2S.Y/c1-3-2;;/h1H2,2H3;1H2;/q-1;;/p-1/i2D;;
InChIKeyMRNMJIIIXFKRSG-AIIYCECHSA-M
XLogP0.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.06
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-deuterioprop-1-ene;sulfanide;yttrium?
The IUPAC name of 3-deuterioprop-1-ene;sulfanide;yttrium (CID 58938152) is 3-deuterioprop-1-ene;sulfanide;yttrium.
What is the SMILES notation for 3-deuterioprop-1-ene;sulfanide;yttrium?
The canonical SMILES for 3-deuterioprop-1-ene;sulfanide;yttrium is [2H]C[C-]=C.[SH-].[Y].
What is the InChIKey of 3-deuterioprop-1-ene;sulfanide;yttrium?
The InChIKey is MRNMJIIIXFKRSG-AIIYCECHSA-M. The full InChI is InChI=1S/C3H5.H2S.Y/c1-3-2;;/h1H2,2H3;1H2;/q-1;;/p-1/i2D;;.
What are the key properties of 3-deuterioprop-1-ene;sulfanide;yttrium?
3-deuterioprop-1-ene;sulfanide;yttrium has a molecular weight of 164.06 g/mol, XLogP of 0.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-deuterioprop-1-ene;sulfanide;yttrium is sourced from PubChem (CID 58938152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).