1-(4,5-dimethylthiophen-2-yl)-2-methylpropan-1-one

C10H14OS — CID 114962093

IUPAC1-(4,5-dimethylthiophen-2-yl)-2-methylpropan-1-one
SMILESCc1cc(C(=O)C(C)C)sc1C
InChIInChI=1S/C10H14OS/c1-6(2)10(11)9-5-7(3)8(4)12-9/h5-6H,1-4H3
InChIKeyUQSZAQWSKCWULR-UHFFFAOYSA-N
MW182.29 g/mol
LogP3.20
Rot. Bonds2

About 1-(4,5-dimethylthiophen-2-yl)-2-methylpropan-1-one

1-(4,5-dimethylthiophen-2-yl)-2-methylpropan-1-one (PubChem CID 114962093) has the molecular formula C10H14OS and a molecular weight of 182.29 g/mol. Its IUPAC name is 1-(4,5-dimethylthiophen-2-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(4,5-dimethylthiophen-2-yl)-2-methylpropan-1-one
PubChem CID114962093
Molecular FormulaC10H14OS
Molecular Weight182.29 g/mol
Exact Mass182.08
IUPAC Name1-(4,5-dimethylthiophen-2-yl)-2-methylpropan-1-one
SMILESCc1cc(C(=O)C(C)C)sc1C
InChIInChI=1S/C10H14OS/c1-6(2)10(11)9-5-7(3)8(4)12-9/h5-6H,1-4H3
InChIKeyUQSZAQWSKCWULR-UHFFFAOYSA-N
XLogP3.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(4,5-dimethylthiophene-2-carbonyl)amino]propanoic acid
CID 61132299
1-(4,5-dimethylthiophen-2-yl)-2-phenylbutan-1-one
CID 101490233
N-[(2R)-2-hydroxypropyl]-4,5-dimethylthiophene-2-carboxamide
CID 83031116
N-(2-chloropropyl)-4,5-dimethylthiophene-2-carboxamide
CID 114296674
(2R)-2-[(4,5-dimethylthiophene-2-carbonyl)amino]-3-methylbutanoic acid
CID 79010793
N-(2-chloropropyl)-N,4,5-trimethylthiophene-2-carboxamide
CID 65238122
(2S)-2-[(4,5-dimethylthiophene-2-carbonyl)amino]-3-methylbutanoic acid
CID 61137175
1-(2,5-dimethylthiophen-3-yl)-2-methylpropan-1-one
CID 15761215
1-(4,5-dimethylthiophen-2-yl)-3-methylbut-2-en-1-one
CID 115780774
3-(4,5-dimethylthiophen-2-yl)-2-(4-fluorophenyl)-3-oxopropanenitrile
CID 65239105
N-(4-bromobutan-2-yl)-4,5-dimethylthiophene-2-carboxamide
CID 83178836
N-(1-chlorobutan-2-yl)-4,5-dimethylthiophene-2-carboxamide
CID 114294744

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethylthiophen-2-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(4,5-dimethylthiophen-2-yl)-2-methylpropan-1-one (CID 114962093) is 1-(4,5-dimethylthiophen-2-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(4,5-dimethylthiophen-2-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(4,5-dimethylthiophen-2-yl)-2-methylpropan-1-one is Cc1cc(C(=O)C(C)C)sc1C.
What is the InChIKey of 1-(4,5-dimethylthiophen-2-yl)-2-methylpropan-1-one?
The InChIKey is UQSZAQWSKCWULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14OS/c1-6(2)10(11)9-5-7(3)8(4)12-9/h5-6H,1-4H3.
What are the key properties of 1-(4,5-dimethylthiophen-2-yl)-2-methylpropan-1-one?
1-(4,5-dimethylthiophen-2-yl)-2-methylpropan-1-one has a molecular weight of 182.29 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethylthiophen-2-yl)-2-methylpropan-1-one is sourced from PubChem (CID 114962093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).