carbanide;2,3-dimethylthiophene;2,3,4,5-tetramethylthiophene;tris(yttrium)

C17H29S2Y3-3 — CID 165102969

IUPACcarbanide;2,3-dimethylthiophene;2,3,4,5-tetramethylthiophene;tris(yttrium)
SMILESCc1ccsc1C.Cc1sc(C)c(C)c1C.[CH3-].[CH3-].[CH3-].[Y].[Y].[Y]
InChIInChI=1S/C8H12S.C6H8S.3CH3.3Y/c1-5-6(2)8(4)9-7(5)3;1-5-3-4-7-6(5)2;;;;;;/h1-4H3;3-4H,1-2H3;3*1H3;;;/q;;3*-1;;;
InChIKeyCTTQGDHJHTUGDT-UHFFFAOYSA-N
MW564.27 g/mol
LogP6.69
Rot. Bonds

About carbanide;2,3-dimethylthiophene;2,3,4,5-tetramethylthiophene;tris(yttrium)

carbanide;2,3-dimethylthiophene;2,3,4,5-tetramethylthiophene;tris(yttrium) (PubChem CID 165102969) has the molecular formula C17H29S2Y3-3 and a molecular weight of 564.27 g/mol. Its IUPAC name is carbanide;2,3-dimethylthiophene;2,3,4,5-tetramethylthiophene;tris(yttrium).

Molecular Properties

Compound Namecarbanide;2,3-dimethylthiophene;2,3,4,5-tetramethylthiophene;tris(yttrium)
PubChem CID165102969
Molecular FormulaC17H29S2Y3-3
Molecular Weight564.27 g/mol
Exact Mass563.89
IUPAC Namecarbanide;2,3-dimethylthiophene;2,3,4,5-tetramethylthiophene;tris(yttrium)
SMILESCc1ccsc1C.Cc1sc(C)c(C)c1C.[CH3-].[CH3-].[CH3-].[Y].[Y].[Y]
InChIInChI=1S/C8H12S.C6H8S.3CH3.3Y/c1-5-6(2)8(4)9-7(5)3;1-5-3-4-7-6(5)2;;;;;;/h1-4H3;3-4H,1-2H3;3*1H3;;;/q;;3*-1;;;
InChIKeyCTTQGDHJHTUGDT-UHFFFAOYSA-N
XLogP6.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.27
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbanide;2,3-dimethylthiophene;2,3,4,5-tetramethylthiophene;tris(yttrium)?
The IUPAC name of carbanide;2,3-dimethylthiophene;2,3,4,5-tetramethylthiophene;tris(yttrium) (CID 165102969) is carbanide;2,3-dimethylthiophene;2,3,4,5-tetramethylthiophene;tris(yttrium).
What is the SMILES notation for carbanide;2,3-dimethylthiophene;2,3,4,5-tetramethylthiophene;tris(yttrium)?
The canonical SMILES for carbanide;2,3-dimethylthiophene;2,3,4,5-tetramethylthiophene;tris(yttrium) is Cc1ccsc1C.Cc1sc(C)c(C)c1C.[CH3-].[CH3-].[CH3-].[Y].[Y].[Y].
What is the InChIKey of carbanide;2,3-dimethylthiophene;2,3,4,5-tetramethylthiophene;tris(yttrium)?
The InChIKey is CTTQGDHJHTUGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12S.C6H8S.3CH3.3Y/c1-5-6(2)8(4)9-7(5)3;1-5-3-4-7-6(5)2;;;;;;/h1-4H3;3-4H,1-2H3;3*1H3;;;/q;;3*-1;;;.
What are the key properties of carbanide;2,3-dimethylthiophene;2,3,4,5-tetramethylthiophene;tris(yttrium)?
carbanide;2,3-dimethylthiophene;2,3,4,5-tetramethylthiophene;tris(yttrium) has a molecular weight of 564.27 g/mol, XLogP of 6.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;2,3-dimethylthiophene;2,3,4,5-tetramethylthiophene;tris(yttrium) is sourced from PubChem (CID 165102969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).