1-prop-1-enylsulfinylprop-1-ene

C6H10OS — CID 72745654

IUPAC1-prop-1-enylsulfinylprop-1-ene
SMILESCC=CS(=O)C=CC
InChIInChI=1S/C6H10OS/c1-3-5-8(7)6-4-2/h3-6H,1-2H3
InChIKeyDNPFMHOKFCHDJG-UHFFFAOYSA-N
MW130.21 g/mol
LogP1.80
Rot. Bonds2

About 1-prop-1-enylsulfinylprop-1-ene

1-prop-1-enylsulfinylprop-1-ene (PubChem CID 72745654) has the molecular formula C6H10OS and a molecular weight of 130.21 g/mol. Its IUPAC name is 1-prop-1-enylsulfinylprop-1-ene.

Molecular Properties

Compound Name1-prop-1-enylsulfinylprop-1-ene
PubChem CID72745654
Molecular FormulaC6H10OS
Molecular Weight130.21 g/mol
Exact Mass130.05
IUPAC Name1-prop-1-enylsulfinylprop-1-ene
SMILESCC=CS(=O)C=CC
InChIInChI=1S/C6H10OS/c1-3-5-8(7)6-4-2/h3-6H,1-2H3
InChIKeyDNPFMHOKFCHDJG-UHFFFAOYSA-N
XLogP1.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-prop-1-enylsulfinylprop-1-ene?
The IUPAC name of 1-prop-1-enylsulfinylprop-1-ene (CID 72745654) is 1-prop-1-enylsulfinylprop-1-ene.
What is the SMILES notation for 1-prop-1-enylsulfinylprop-1-ene?
The canonical SMILES for 1-prop-1-enylsulfinylprop-1-ene is CC=CS(=O)C=CC.
What is the InChIKey of 1-prop-1-enylsulfinylprop-1-ene?
The InChIKey is DNPFMHOKFCHDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10OS/c1-3-5-8(7)6-4-2/h3-6H,1-2H3.
What are the key properties of 1-prop-1-enylsulfinylprop-1-ene?
1-prop-1-enylsulfinylprop-1-ene has a molecular weight of 130.21 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-1-enylsulfinylprop-1-ene is sourced from PubChem (CID 72745654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).