ethane;4-methylthiophene-2-carbaldehyde;propane

C11H20OS — CID 143782335

IUPACethane;4-methylthiophene-2-carbaldehyde;propane
SMILESCC.CCC.Cc1csc(C=O)c1
InChIInChI=1S/C6H6OS.C3H8.C2H6/c1-5-2-6(3-7)8-4-5;1-3-2;1-2/h2-4H,1H3;3H2,1-2H3;1-2H3
InChIKeyXGWMGUJMVOZPAC-UHFFFAOYSA-N
MW200.35 g/mol
LogP4.31
Rot. Bonds1

About ethane;4-methylthiophene-2-carbaldehyde;propane

ethane;4-methylthiophene-2-carbaldehyde;propane (PubChem CID 143782335) has the molecular formula C11H20OS and a molecular weight of 200.35 g/mol. Its IUPAC name is ethane;4-methylthiophene-2-carbaldehyde;propane.

Molecular Properties

Compound Nameethane;4-methylthiophene-2-carbaldehyde;propane
PubChem CID143782335
Molecular FormulaC11H20OS
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Nameethane;4-methylthiophene-2-carbaldehyde;propane
SMILESCC.CCC.Cc1csc(C=O)c1
InChIInChI=1S/C6H6OS.C3H8.C2H6/c1-5-2-6(3-7)8-4-5;1-3-2;1-2/h2-4H,1H3;3H2,1-2H3;1-2H3
InChIKeyXGWMGUJMVOZPAC-UHFFFAOYSA-N
XLogP4.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methylthiophene-2-carbaldehyde;propane?
The IUPAC name of ethane;4-methylthiophene-2-carbaldehyde;propane (CID 143782335) is ethane;4-methylthiophene-2-carbaldehyde;propane.
What is the SMILES notation for ethane;4-methylthiophene-2-carbaldehyde;propane?
The canonical SMILES for ethane;4-methylthiophene-2-carbaldehyde;propane is CC.CCC.Cc1csc(C=O)c1.
What is the InChIKey of ethane;4-methylthiophene-2-carbaldehyde;propane?
The InChIKey is XGWMGUJMVOZPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6OS.C3H8.C2H6/c1-5-2-6(3-7)8-4-5;1-3-2;1-2/h2-4H,1H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;4-methylthiophene-2-carbaldehyde;propane?
ethane;4-methylthiophene-2-carbaldehyde;propane has a molecular weight of 200.35 g/mol, XLogP of 4.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methylthiophene-2-carbaldehyde;propane is sourced from PubChem (CID 143782335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).