1-methylsulfanylcyclopropane-1-carbaldehyde

C5H8OS — CID 19972055

IUPAC1-methylsulfanylcyclopropane-1-carbaldehyde
SMILESCSC1(C=O)CC1
InChIInChI=1S/C5H8OS/c1-7-5(4-6)2-3-5/h4H,2-3H2,1H3
InChIKeySTDVRFVMIDYUSW-UHFFFAOYSA-N
MW116.18 g/mol
LogP1.08
Rot. Bonds2

About 1-methylsulfanylcyclopropane-1-carbaldehyde

1-methylsulfanylcyclopropane-1-carbaldehyde (PubChem CID 19972055) has the molecular formula C5H8OS and a molecular weight of 116.18 g/mol. Its IUPAC name is 1-methylsulfanylcyclopropane-1-carbaldehyde.

Molecular Properties

Compound Name1-methylsulfanylcyclopropane-1-carbaldehyde
PubChem CID19972055
Molecular FormulaC5H8OS
Molecular Weight116.18 g/mol
Exact Mass116.03
IUPAC Name1-methylsulfanylcyclopropane-1-carbaldehyde
SMILESCSC1(C=O)CC1
InChIInChI=1S/C5H8OS/c1-7-5(4-6)2-3-5/h4H,2-3H2,1H3
InChIKeySTDVRFVMIDYUSW-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
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-methylsulfanylcyclopropane-1-carbaldehyde?
The IUPAC name of 1-methylsulfanylcyclopropane-1-carbaldehyde (CID 19972055) is 1-methylsulfanylcyclopropane-1-carbaldehyde.
What is the SMILES notation for 1-methylsulfanylcyclopropane-1-carbaldehyde?
The canonical SMILES for 1-methylsulfanylcyclopropane-1-carbaldehyde is CSC1(C=O)CC1.
What is the InChIKey of 1-methylsulfanylcyclopropane-1-carbaldehyde?
The InChIKey is STDVRFVMIDYUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8OS/c1-7-5(4-6)2-3-5/h4H,2-3H2,1H3.
What are the key properties of 1-methylsulfanylcyclopropane-1-carbaldehyde?
1-methylsulfanylcyclopropane-1-carbaldehyde has a molecular weight of 116.18 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanylcyclopropane-1-carbaldehyde is sourced from PubChem (CID 19972055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).