methanethiolate;propane;yttrium

C4H10SY-2 — CID 59983895

IUPACmethanethiolate;propane;yttrium
SMILESC[S-].[CH2-]CC.[Y]
InChIInChI=1S/C3H7.CH4S.Y/c1-3-2;1-2;/h1,3H2,2H3;2H,1H3;/q-1;;/p-1
InChIKeyNUGTXELSVGDWQJ-UHFFFAOYSA-M
MW179.10 g/mol
LogP1.39
Rot. Bonds

About methanethiolate;propane;yttrium

methanethiolate;propane;yttrium (PubChem CID 59983895) has the molecular formula C4H10SY-2 and a molecular weight of 179.10 g/mol. Its IUPAC name is methanethiolate;propane;yttrium.

Molecular Properties

Compound Namemethanethiolate;propane;yttrium
PubChem CID59983895
Molecular FormulaC4H10SY-2
Molecular Weight179.10 g/mol
Exact Mass178.96
IUPAC Namemethanethiolate;propane;yttrium
SMILESC[S-].[CH2-]CC.[Y]
InChIInChI=1S/C3H7.CH4S.Y/c1-3-2;1-2;/h1,3H2,2H3;2H,1H3;/q-1;;/p-1
InChIKeyNUGTXELSVGDWQJ-UHFFFAOYSA-M
XLogP1.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.10
LogP ≤ 51.39
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'}

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Frequently Asked Questions

What is the IUPAC name of methanethiolate;propane;yttrium?
The IUPAC name of methanethiolate;propane;yttrium (CID 59983895) is methanethiolate;propane;yttrium.
What is the SMILES notation for methanethiolate;propane;yttrium?
The canonical SMILES for methanethiolate;propane;yttrium is C[S-].[CH2-]CC.[Y].
What is the InChIKey of methanethiolate;propane;yttrium?
The InChIKey is NUGTXELSVGDWQJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H7.CH4S.Y/c1-3-2;1-2;/h1,3H2,2H3;2H,1H3;/q-1;;/p-1.
What are the key properties of methanethiolate;propane;yttrium?
methanethiolate;propane;yttrium has a molecular weight of 179.10 g/mol, XLogP of 1.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methanethiolate;propane;yttrium is sourced from PubChem (CID 59983895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).