(Z)-1-ethylsulfinylpent-1-en-3-one

C7H12O2S — CID 134882086

IUPAC(Z)-1-ethylsulfinylpent-1-en-3-one
SMILESCCC(=O)/C=C\S(=O)CC
InChIInChI=1S/C7H12O2S/c1-3-7(8)5-6-10(9)4-2/h5-6H,3-4H2,1-2H3/b6-5-
InChIKeyACGPUYLYVBYQJN-WAYWQWQTSA-N
MW160.24 g/mol
LogP1.25
Rot. Bonds4

About (Z)-1-ethylsulfinylpent-1-en-3-one

(Z)-1-ethylsulfinylpent-1-en-3-one (PubChem CID 134882086) has the molecular formula C7H12O2S and a molecular weight of 160.24 g/mol. Its IUPAC name is (Z)-1-ethylsulfinylpent-1-en-3-one.

Molecular Properties

Compound Name(Z)-1-ethylsulfinylpent-1-en-3-one
PubChem CID134882086
Molecular FormulaC7H12O2S
Molecular Weight160.24 g/mol
Exact Mass160.06
IUPAC Name(Z)-1-ethylsulfinylpent-1-en-3-one
SMILESCCC(=O)/C=C\S(=O)CC
InChIInChI=1S/C7H12O2S/c1-3-7(8)5-6-10(9)4-2/h5-6H,3-4H2,1-2H3/b6-5-
InChIKeyACGPUYLYVBYQJN-WAYWQWQTSA-N
XLogP1.25
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2,3-dihydro-4H-thiopyran-4-one 1,1-dioxide
CID 10374577
5-(Methylsulfanyl)pent-1-en-3-one
CID 12751300
(E)-4-tert-butylsulfonylbut-3-en-2-one
CID 14224803
1-Oxothiophen-3-one
CID 23088404
S-(3-oxopent-4-enyl) ethanethioate
CID 57095240
1-Ethenylsulfonylbut-3-en-2-one
CID 58705986
1-Methanesulfonylbut-3-en-2-one
CID 58706043
(E)-4-methylsulfonylbut-3-en-2-one
CID 87184405
(E)-1-methylsulfanylpent-1-en-3-one
CID 88783975
6-Methylsulfanylhex-1-ene-3,4-dione
CID 122525715
4-Methylsulfonylbut-3-en-2-one
CID 123674603
S-(3-oxopent-4-enyl) propanethioate
CID 139751786

Frequently Asked Questions

What is the IUPAC name of (Z)-1-ethylsulfinylpent-1-en-3-one?
The IUPAC name of (Z)-1-ethylsulfinylpent-1-en-3-one (CID 134882086) is (Z)-1-ethylsulfinylpent-1-en-3-one.
What is the SMILES notation for (Z)-1-ethylsulfinylpent-1-en-3-one?
The canonical SMILES for (Z)-1-ethylsulfinylpent-1-en-3-one is CCC(=O)/C=C\S(=O)CC.
What is the InChIKey of (Z)-1-ethylsulfinylpent-1-en-3-one?
The InChIKey is ACGPUYLYVBYQJN-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H12O2S/c1-3-7(8)5-6-10(9)4-2/h5-6H,3-4H2,1-2H3/b6-5-.
What are the key properties of (Z)-1-ethylsulfinylpent-1-en-3-one?
(Z)-1-ethylsulfinylpent-1-en-3-one has a molecular weight of 160.24 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-ethylsulfinylpent-1-en-3-one is sourced from PubChem (CID 134882086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).