(3R)-3-thiophen-3-ylbutan-2-one

C8H10OS — CID 90139651

IUPAC(3R)-3-thiophen-3-ylbutan-2-one
SMILESCC(=O)[C@H](C)c1ccsc1
InChIInChI=1S/C8H10OS/c1-6(7(2)9)8-3-4-10-5-8/h3-6H,1-2H3/t6-/m0/s1
InChIKeyWNOJZYDKNANUOY-LURJTMIESA-N
MW154.23 g/mol
LogP2.44
Rot. Bonds2

About (3R)-3-thiophen-3-ylbutan-2-one

(3R)-3-thiophen-3-ylbutan-2-one (PubChem CID 90139651) has the molecular formula C8H10OS and a molecular weight of 154.23 g/mol. Its IUPAC name is (3R)-3-thiophen-3-ylbutan-2-one.

Molecular Properties

Compound Name(3R)-3-thiophen-3-ylbutan-2-one
PubChem CID90139651
Molecular FormulaC8H10OS
Molecular Weight154.23 g/mol
Exact Mass154.05
IUPAC Name(3R)-3-thiophen-3-ylbutan-2-one
SMILESCC(=O)[C@H](C)c1ccsc1
InChIInChI=1S/C8H10OS/c1-6(7(2)9)8-3-4-10-5-8/h3-6H,1-2H3/t6-/m0/s1
InChIKeyWNOJZYDKNANUOY-LURJTMIESA-N
XLogP2.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.23
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-thiophen-3-ylpropanoic acid;hydrochloride
CID 67842901
2,4-di(thiophen-3-yl)pentan-3-one
CID 67673002
1-thiophen-3-ylethyl acetate
CID 59753762
4-phenyl-3-thiophen-3-ylpentan-2-one
CID 174672241
(1S)-1-thiophen-3-ylethanol
CID 11297979
1-thiophen-3-ylethanol
CID 12744375
3-[methyl(2-thiophen-3-ylpropanoyl)amino]propanoic acid
CID 115731293
2-sulfanyl-3-thiophen-3-ylbutanoic acid
CID 174552094
1-hydroxy-3-(1-thiophen-3-ylethyl)urea
CID 23821299
2-[cyclopropyl(2-thiophen-3-ylpropanoyl)amino]propanoic acid
CID 119202682
(2S,3S)-3-methyl-2-(2-thiophen-3-ylpropanoylamino)pentanoic acid
CID 91644897
1-[(3R)-3-aminopyrrolidin-1-yl]-2-thiophen-3-ylpropan-1-one
CID 119410172

Frequently Asked Questions

What is the IUPAC name of (3R)-3-thiophen-3-ylbutan-2-one?
The IUPAC name of (3R)-3-thiophen-3-ylbutan-2-one (CID 90139651) is (3R)-3-thiophen-3-ylbutan-2-one.
What is the SMILES notation for (3R)-3-thiophen-3-ylbutan-2-one?
The canonical SMILES for (3R)-3-thiophen-3-ylbutan-2-one is CC(=O)[C@H](C)c1ccsc1.
What is the InChIKey of (3R)-3-thiophen-3-ylbutan-2-one?
The InChIKey is WNOJZYDKNANUOY-LURJTMIESA-N. The full InChI is InChI=1S/C8H10OS/c1-6(7(2)9)8-3-4-10-5-8/h3-6H,1-2H3/t6-/m0/s1.
What are the key properties of (3R)-3-thiophen-3-ylbutan-2-one?
(3R)-3-thiophen-3-ylbutan-2-one has a molecular weight of 154.23 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-thiophen-3-ylbutan-2-one is sourced from PubChem (CID 90139651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).