1-(3-methylthiophen-2-yl)-3-thiophen-3-ylpropan-1-one

C12H12OS2 — CID 114972087

IUPAC1-(3-methylthiophen-2-yl)-3-thiophen-3-ylpropan-1-one
SMILESCc1ccsc1C(=O)CCc1ccsc1
InChIInChI=1S/C12H12OS2/c1-9-4-7-15-12(9)11(13)3-2-10-5-6-14-8-10/h4-8H,2-3H2,1H3
InChIKeyCLTVRQWWLSPVGB-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.93
Rot. Bonds4

About 1-(3-methylthiophen-2-yl)-3-thiophen-3-ylpropan-1-one

1-(3-methylthiophen-2-yl)-3-thiophen-3-ylpropan-1-one (PubChem CID 114972087) has the molecular formula C12H12OS2 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-(3-methylthiophen-2-yl)-3-thiophen-3-ylpropan-1-one.

Molecular Properties

Compound Name1-(3-methylthiophen-2-yl)-3-thiophen-3-ylpropan-1-one
PubChem CID114972087
Molecular FormulaC12H12OS2
Molecular Weight236.36 g/mol
Exact Mass236.03
IUPAC Name1-(3-methylthiophen-2-yl)-3-thiophen-3-ylpropan-1-one
SMILESCc1ccsc1C(=O)CCc1ccsc1
InChIInChI=1S/C12H12OS2/c1-9-4-7-15-12(9)11(13)3-2-10-5-6-14-8-10/h4-8H,2-3H2,1H3
InChIKeyCLTVRQWWLSPVGB-UHFFFAOYSA-N
XLogP3.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylthiophen-2-yl)-3-phenylpropan-1-one
CID 59179659
1-(2,6-dimethyl-4-pyridinyl)-3-thiophen-3-ylpropan-1-one
CID 107502319
1-(2,4-difluoro-5-methylphenyl)-3-thiophen-3-ylpropan-1-one
CID 114972180
1-(3-methylthiophen-2-yl)heptan-1-one
CID 114752163
1-(4-aminophenyl)-3-thiophen-3-ylpropan-1-one
CID 116548804
1-(5-methyl-3-pyridinyl)-3-thiophen-3-ylpropan-1-one
CID 105099908
1-(4-butoxyphenyl)-3-thiophen-3-ylpropan-1-one
CID 105099876
1-(1-methylpyrrol-2-yl)-3-thiophen-3-ylpropan-1-one
CID 163213463
1-(2-methoxy-4-methylphenyl)-3-thiophen-3-ylpropan-1-one
CID 106790018
1-[4-(2-aminoethyl)phenyl]-3-thiophen-3-ylpropan-1-one
CID 116577708
5-amino-1-(3-methylthiophen-2-yl)hexan-1-one
CID 116610071
2-(4-aminophenyl)-1-(3-methylthiophen-2-yl)ethanone
CID 116549460

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylthiophen-2-yl)-3-thiophen-3-ylpropan-1-one?
The IUPAC name of 1-(3-methylthiophen-2-yl)-3-thiophen-3-ylpropan-1-one (CID 114972087) is 1-(3-methylthiophen-2-yl)-3-thiophen-3-ylpropan-1-one.
What is the SMILES notation for 1-(3-methylthiophen-2-yl)-3-thiophen-3-ylpropan-1-one?
The canonical SMILES for 1-(3-methylthiophen-2-yl)-3-thiophen-3-ylpropan-1-one is Cc1ccsc1C(=O)CCc1ccsc1.
What is the InChIKey of 1-(3-methylthiophen-2-yl)-3-thiophen-3-ylpropan-1-one?
The InChIKey is CLTVRQWWLSPVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12OS2/c1-9-4-7-15-12(9)11(13)3-2-10-5-6-14-8-10/h4-8H,2-3H2,1H3.
What are the key properties of 1-(3-methylthiophen-2-yl)-3-thiophen-3-ylpropan-1-one?
1-(3-methylthiophen-2-yl)-3-thiophen-3-ylpropan-1-one has a molecular weight of 236.36 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylthiophen-2-yl)-3-thiophen-3-ylpropan-1-one is sourced from PubChem (CID 114972087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).