ethane;methane;methanethiolate;yttrium

C4H12SY-2 — CID 159220201

IUPACethane;methane;methanethiolate;yttrium
SMILESC.C[S-].[CH2-]C.[Y]
InChIInChI=1S/C2H5.CH4S.CH4.Y/c2*1-2;;/h1H2,2H3;2H,1H3;1H4;/q-1;;;/p-1
InChIKeyVRMVVCHWBCSERA-UHFFFAOYSA-M
MW181.11 g/mol
LogP1.64
Rot. Bonds

About ethane;methane;methanethiolate;yttrium

ethane;methane;methanethiolate;yttrium (PubChem CID 159220201) has the molecular formula C4H12SY-2 and a molecular weight of 181.11 g/mol. Its IUPAC name is ethane;methane;methanethiolate;yttrium.

Molecular Properties

Compound Nameethane;methane;methanethiolate;yttrium
PubChem CID159220201
Molecular FormulaC4H12SY-2
Molecular Weight181.11 g/mol
Exact Mass180.97
IUPAC Nameethane;methane;methanethiolate;yttrium
SMILESC.C[S-].[CH2-]C.[Y]
InChIInChI=1S/C2H5.CH4S.CH4.Y/c2*1-2;;/h1H2,2H3;2H,1H3;1H4;/q-1;;;/p-1
InChIKeyVRMVVCHWBCSERA-UHFFFAOYSA-M
XLogP1.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.11
LogP ≤ 51.64
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 ethane;methane;methanethiolate;yttrium?
The IUPAC name of ethane;methane;methanethiolate;yttrium (CID 159220201) is ethane;methane;methanethiolate;yttrium.
What is the SMILES notation for ethane;methane;methanethiolate;yttrium?
The canonical SMILES for ethane;methane;methanethiolate;yttrium is C.C[S-].[CH2-]C.[Y].
What is the InChIKey of ethane;methane;methanethiolate;yttrium?
The InChIKey is VRMVVCHWBCSERA-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H5.CH4S.CH4.Y/c2*1-2;;/h1H2,2H3;2H,1H3;1H4;/q-1;;;/p-1.
What are the key properties of ethane;methane;methanethiolate;yttrium?
ethane;methane;methanethiolate;yttrium has a molecular weight of 181.11 g/mol, XLogP of 1.64, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;methanethiolate;yttrium is sourced from PubChem (CID 159220201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).