1-ethylsulfanylbut-2-yne;yttrium

C6H9SY- — CID 59013989

IUPAC1-ethylsulfanylbut-2-yne;yttrium
SMILES[CH2-]C#CCSCC.[Y]
InChIInChI=1S/C6H9S.Y/c1-3-5-6-7-4-2;/h1,4,6H2,2H3;/q-1;
InChIKeyUELAEVGXTMUJCG-UHFFFAOYSA-N
MW202.11 g/mol
LogP1.57
Rot. Bonds2

About 1-ethylsulfanylbut-2-yne;yttrium

1-ethylsulfanylbut-2-yne;yttrium (PubChem CID 59013989) has the molecular formula C6H9SY- and a molecular weight of 202.11 g/mol. Its IUPAC name is 1-ethylsulfanylbut-2-yne;yttrium.

Molecular Properties

Compound Name1-ethylsulfanylbut-2-yne;yttrium
PubChem CID59013989
Molecular FormulaC6H9SY-
Molecular Weight202.11 g/mol
Exact Mass201.95
IUPAC Name1-ethylsulfanylbut-2-yne;yttrium
SMILES[CH2-]C#CCSCC.[Y]
InChIInChI=1S/C6H9S.Y/c1-3-5-6-7-4-2;/h1,4,6H2,2H3;/q-1;
InChIKeyUELAEVGXTMUJCG-UHFFFAOYSA-N
XLogP1.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.11
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanylbut-2-yne;yttrium?
The IUPAC name of 1-ethylsulfanylbut-2-yne;yttrium (CID 59013989) is 1-ethylsulfanylbut-2-yne;yttrium.
What is the SMILES notation for 1-ethylsulfanylbut-2-yne;yttrium?
The canonical SMILES for 1-ethylsulfanylbut-2-yne;yttrium is [CH2-]C#CCSCC.[Y].
What is the InChIKey of 1-ethylsulfanylbut-2-yne;yttrium?
The InChIKey is UELAEVGXTMUJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9S.Y/c1-3-5-6-7-4-2;/h1,4,6H2,2H3;/q-1;.
What are the key properties of 1-ethylsulfanylbut-2-yne;yttrium?
1-ethylsulfanylbut-2-yne;yttrium has a molecular weight of 202.11 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanylbut-2-yne;yttrium is sourced from PubChem (CID 59013989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).