1-(4-methylsulfanylphenyl)cyclopropane-1-carbaldehyde

C11H12OS — CID 105446585

IUPAC1-(4-methylsulfanylphenyl)cyclopropane-1-carbaldehyde
SMILESCSc1ccc(C2(C=O)CC2)cc1
InChIInChI=1S/C11H12OS/c1-13-10-4-2-9(3-5-10)11(8-12)6-7-11/h2-5,8H,6-7H2,1H3
InChIKeyFVFNIVYFFGZOQV-UHFFFAOYSA-N
MW192.28 g/mol
LogP2.64
Rot. Bonds3

About 1-(4-methylsulfanylphenyl)cyclopropane-1-carbaldehyde

1-(4-methylsulfanylphenyl)cyclopropane-1-carbaldehyde (PubChem CID 105446585) has the molecular formula C11H12OS and a molecular weight of 192.28 g/mol. Its IUPAC name is 1-(4-methylsulfanylphenyl)cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Name1-(4-methylsulfanylphenyl)cyclopropane-1-carbaldehyde
PubChem CID105446585
Molecular FormulaC11H12OS
Molecular Weight192.28 g/mol
Exact Mass192.06
IUPAC Name1-(4-methylsulfanylphenyl)cyclopropane-1-carbaldehyde
SMILESCSc1ccc(C2(C=O)CC2)cc1
InChIInChI=1S/C11H12OS/c1-13-10-4-2-9(3-5-10)11(8-12)6-7-11/h2-5,8H,6-7H2,1H3
InChIKeyFVFNIVYFFGZOQV-UHFFFAOYSA-N
XLogP2.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 52.64
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 1-(4-methylsulfanylphenyl)cyclopropane-1-carbaldehyde?
The IUPAC name of 1-(4-methylsulfanylphenyl)cyclopropane-1-carbaldehyde (CID 105446585) is 1-(4-methylsulfanylphenyl)cyclopropane-1-carbaldehyde.
What is the SMILES notation for 1-(4-methylsulfanylphenyl)cyclopropane-1-carbaldehyde?
The canonical SMILES for 1-(4-methylsulfanylphenyl)cyclopropane-1-carbaldehyde is CSc1ccc(C2(C=O)CC2)cc1.
What is the InChIKey of 1-(4-methylsulfanylphenyl)cyclopropane-1-carbaldehyde?
The InChIKey is FVFNIVYFFGZOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12OS/c1-13-10-4-2-9(3-5-10)11(8-12)6-7-11/h2-5,8H,6-7H2,1H3.
What are the key properties of 1-(4-methylsulfanylphenyl)cyclopropane-1-carbaldehyde?
1-(4-methylsulfanylphenyl)cyclopropane-1-carbaldehyde has a molecular weight of 192.28 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfanylphenyl)cyclopropane-1-carbaldehyde is sourced from PubChem (CID 105446585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).