2-methylsulfanylcyclopropane-1-carbaldehyde

C5H8OS — CID 54464986

IUPAC2-methylsulfanylcyclopropane-1-carbaldehyde
SMILESCSC1CC1C=O
InChIInChI=1S/C5H8OS/c1-7-5-2-4(5)3-6/h3-5H,2H2,1H3
InChIKeyXESCZUIKXAJANL-UHFFFAOYSA-N
MW116.18 g/mol
LogP0.94
Rot. Bonds2

About 2-methylsulfanylcyclopropane-1-carbaldehyde

2-methylsulfanylcyclopropane-1-carbaldehyde (PubChem CID 54464986) has the molecular formula C5H8OS and a molecular weight of 116.18 g/mol. Its IUPAC name is 2-methylsulfanylcyclopropane-1-carbaldehyde.

Molecular Properties

Compound Name2-methylsulfanylcyclopropane-1-carbaldehyde
PubChem CID54464986
Molecular FormulaC5H8OS
Molecular Weight116.18 g/mol
Exact Mass116.03
IUPAC Name2-methylsulfanylcyclopropane-1-carbaldehyde
SMILESCSC1CC1C=O
InChIInChI=1S/C5H8OS/c1-7-5-2-4(5)3-6/h3-5H,2H2,1H3
InChIKeyXESCZUIKXAJANL-UHFFFAOYSA-N
XLogP0.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.18
LogP ≤ 50.94
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 2-methylsulfanylcyclopropane-1-carbaldehyde?
The IUPAC name of 2-methylsulfanylcyclopropane-1-carbaldehyde (CID 54464986) is 2-methylsulfanylcyclopropane-1-carbaldehyde.
What is the SMILES notation for 2-methylsulfanylcyclopropane-1-carbaldehyde?
The canonical SMILES for 2-methylsulfanylcyclopropane-1-carbaldehyde is CSC1CC1C=O.
What is the InChIKey of 2-methylsulfanylcyclopropane-1-carbaldehyde?
The InChIKey is XESCZUIKXAJANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8OS/c1-7-5-2-4(5)3-6/h3-5H,2H2,1H3.
What are the key properties of 2-methylsulfanylcyclopropane-1-carbaldehyde?
2-methylsulfanylcyclopropane-1-carbaldehyde has a molecular weight of 116.18 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanylcyclopropane-1-carbaldehyde is sourced from PubChem (CID 54464986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).