1-ethylsulfinylprop-1-ene

C5H10OS — CID 54104334

IUPAC1-ethylsulfinylprop-1-ene
SMILESCC=CS(=O)CC
InChIInChI=1S/C5H10OS/c1-3-5-7(6)4-2/h3,5H,4H2,1-2H3
InChIKeyNCRDNZNXCKBSFV-UHFFFAOYSA-N
MW118.20 g/mol
LogP1.29
Rot. Bonds2

About 1-ethylsulfinylprop-1-ene

1-ethylsulfinylprop-1-ene (PubChem CID 54104334) has the molecular formula C5H10OS and a molecular weight of 118.20 g/mol. Its IUPAC name is 1-ethylsulfinylprop-1-ene.

Molecular Properties

Compound Name1-ethylsulfinylprop-1-ene
PubChem CID54104334
Molecular FormulaC5H10OS
Molecular Weight118.20 g/mol
Exact Mass118.05
IUPAC Name1-ethylsulfinylprop-1-ene
SMILESCC=CS(=O)CC
InChIInChI=1S/C5H10OS/c1-3-5-7(6)4-2/h3,5H,4H2,1-2H3
InChIKeyNCRDNZNXCKBSFV-UHFFFAOYSA-N
XLogP1.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.20
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfinylprop-1-ene?
The IUPAC name of 1-ethylsulfinylprop-1-ene (CID 54104334) is 1-ethylsulfinylprop-1-ene.
What is the SMILES notation for 1-ethylsulfinylprop-1-ene?
The canonical SMILES for 1-ethylsulfinylprop-1-ene is CC=CS(=O)CC.
What is the InChIKey of 1-ethylsulfinylprop-1-ene?
The InChIKey is NCRDNZNXCKBSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10OS/c1-3-5-7(6)4-2/h3,5H,4H2,1-2H3.
What are the key properties of 1-ethylsulfinylprop-1-ene?
1-ethylsulfinylprop-1-ene has a molecular weight of 118.20 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfinylprop-1-ene is sourced from PubChem (CID 54104334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).