4-(furan-2-yl)-4-prop-2-enylsulfanylbutan-2-one

C11H14O2S — CID 25186820

IUPAC4-(furan-2-yl)-4-prop-2-enylsulfanylbutan-2-one
SMILESC=CCSC(CC(C)=O)c1ccco1
InChIInChI=1S/C11H14O2S/c1-3-7-14-11(8-9(2)12)10-5-4-6-13-10/h3-6,11H,1,7-8H2,2H3
InChIKeyNLBJZCWVFXOAOB-UHFFFAOYSA-N
MW210.30 g/mol
LogP3.22
Rot. Bonds6

About 4-(furan-2-yl)-4-prop-2-enylsulfanylbutan-2-one

4-(furan-2-yl)-4-prop-2-enylsulfanylbutan-2-one (PubChem CID 25186820) has the molecular formula C11H14O2S and a molecular weight of 210.30 g/mol. Its IUPAC name is 4-(furan-2-yl)-4-prop-2-enylsulfanylbutan-2-one.

Molecular Properties

Compound Name4-(furan-2-yl)-4-prop-2-enylsulfanylbutan-2-one
PubChem CID25186820
Molecular FormulaC11H14O2S
Molecular Weight210.30 g/mol
Exact Mass210.07
IUPAC Name4-(furan-2-yl)-4-prop-2-enylsulfanylbutan-2-one
SMILESC=CCSC(CC(C)=O)c1ccco1
InChIInChI=1S/C11H14O2S/c1-3-7-14-11(8-9(2)12)10-5-4-6-13-10/h3-6,11H,1,7-8H2,2H3
InChIKeyNLBJZCWVFXOAOB-UHFFFAOYSA-N
XLogP3.22
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-phenyl-4-prop-2-enylsulfanylbutan-2-one
CID 11458683
4-chloro-4-(furan-2-yl)butan-2-one
CID 70536237
S-prop-2-enyl furan-2-carbothioate
CID 20981613
1-(furan-2-yl)propyl prop-2-enoate
CID 140979889
1,3-diphenyl-3-prop-2-enylsulfanylpropan-1-one
CID 11514699
3-(furan-2-yl)pentane-2,4-dione
CID 12548240
4-(furan-2-yl)-4-(2-methoxyphenyl)butan-2-one
CID 169488876
diethyl 2-[(1S)-1-(furan-2-yl)-3-oxobutyl]propanedioate
CID 12966059
(3R)-3-(furan-2-yl)-N-methyl-3-phenyl-N-prop-2-enylpropanamide
CID 95119513
2-[1-(furan-2-yl)-3-(4-hydroxyphenyl)-3-oxopropyl]sulfanylacetic acid
CID 46910822
1-(furan-2-yl)-3-methylbut-3-en-1-ol
CID 11457787
2-[1-(furan-2-yl)ethylsulfanyl]acetic acid
CID 14625064

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-4-prop-2-enylsulfanylbutan-2-one?
The IUPAC name of 4-(furan-2-yl)-4-prop-2-enylsulfanylbutan-2-one (CID 25186820) is 4-(furan-2-yl)-4-prop-2-enylsulfanylbutan-2-one.
What is the SMILES notation for 4-(furan-2-yl)-4-prop-2-enylsulfanylbutan-2-one?
The canonical SMILES for 4-(furan-2-yl)-4-prop-2-enylsulfanylbutan-2-one is C=CCSC(CC(C)=O)c1ccco1.
What is the InChIKey of 4-(furan-2-yl)-4-prop-2-enylsulfanylbutan-2-one?
The InChIKey is NLBJZCWVFXOAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2S/c1-3-7-14-11(8-9(2)12)10-5-4-6-13-10/h3-6,11H,1,7-8H2,2H3.
What are the key properties of 4-(furan-2-yl)-4-prop-2-enylsulfanylbutan-2-one?
4-(furan-2-yl)-4-prop-2-enylsulfanylbutan-2-one has a molecular weight of 210.30 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-4-prop-2-enylsulfanylbutan-2-one is sourced from PubChem (CID 25186820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).