2-(methylamino)-3-sulfanylpropan-1-one;yttrium

C4H8NOSY- — CID 58435728

IUPAC2-(methylamino)-3-sulfanylpropan-1-one;yttrium
SMILESCNC([C-]=O)CS.[Y]
InChIInChI=1S/C4H8NOS.Y/c1-5-4(2-6)3-7;/h4-5,7H,3H2,1H3;/q-1;
InChIKeyBXJAMPUKBIUHCK-UHFFFAOYSA-N
MW207.09 g/mol
LogP-0.39
Rot. Bonds3

About 2-(methylamino)-3-sulfanylpropan-1-one;yttrium

2-(methylamino)-3-sulfanylpropan-1-one;yttrium (PubChem CID 58435728) has the molecular formula C4H8NOSY- and a molecular weight of 207.09 g/mol. Its IUPAC name is 2-(methylamino)-3-sulfanylpropan-1-one;yttrium.

Molecular Properties

Compound Name2-(methylamino)-3-sulfanylpropan-1-one;yttrium
PubChem CID58435728
Molecular FormulaC4H8NOSY-
Molecular Weight207.09 g/mol
Exact Mass206.94
IUPAC Name2-(methylamino)-3-sulfanylpropan-1-one;yttrium
SMILESCNC([C-]=O)CS.[Y]
InChIInChI=1S/C4H8NOS.Y/c1-5-4(2-6)3-7;/h4-5,7H,3H2,1H3;/q-1;
InChIKeyBXJAMPUKBIUHCK-UHFFFAOYSA-N
XLogP-0.39
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.09
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-3-sulfanylpropan-1-one;yttrium?
The IUPAC name of 2-(methylamino)-3-sulfanylpropan-1-one;yttrium (CID 58435728) is 2-(methylamino)-3-sulfanylpropan-1-one;yttrium.
What is the SMILES notation for 2-(methylamino)-3-sulfanylpropan-1-one;yttrium?
The canonical SMILES for 2-(methylamino)-3-sulfanylpropan-1-one;yttrium is CNC([C-]=O)CS.[Y].
What is the InChIKey of 2-(methylamino)-3-sulfanylpropan-1-one;yttrium?
The InChIKey is BXJAMPUKBIUHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8NOS.Y/c1-5-4(2-6)3-7;/h4-5,7H,3H2,1H3;/q-1;.
What are the key properties of 2-(methylamino)-3-sulfanylpropan-1-one;yttrium?
2-(methylamino)-3-sulfanylpropan-1-one;yttrium has a molecular weight of 207.09 g/mol, XLogP of -0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-3-sulfanylpropan-1-one;yttrium is sourced from PubChem (CID 58435728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).