1-thiophen-2-yl-4-thiophen-2-ylsulfinylbutan-1-one

C12H12O2S3 — CID 64638878

IUPAC1-thiophen-2-yl-4-thiophen-2-ylsulfinylbutan-1-one
SMILESO=C(CCCS(=O)c1cccs1)c1cccs1
InChIInChI=1S/C12H12O2S3/c13-10(11-5-1-7-15-11)4-3-9-17(14)12-6-2-8-16-12/h1-2,5-8H,3-4,9H2
InChIKeyVHYOZYWODAGVDF-UHFFFAOYSA-N
MW284.43 g/mol
LogP3.58
Rot. Bonds6

About 1-thiophen-2-yl-4-thiophen-2-ylsulfinylbutan-1-one

1-thiophen-2-yl-4-thiophen-2-ylsulfinylbutan-1-one (PubChem CID 64638878) has the molecular formula C12H12O2S3 and a molecular weight of 284.43 g/mol. Its IUPAC name is 1-thiophen-2-yl-4-thiophen-2-ylsulfinylbutan-1-one.

Molecular Properties

Compound Name1-thiophen-2-yl-4-thiophen-2-ylsulfinylbutan-1-one
PubChem CID64638878
Molecular FormulaC12H12O2S3
Molecular Weight284.43 g/mol
Exact Mass284.00
IUPAC Name1-thiophen-2-yl-4-thiophen-2-ylsulfinylbutan-1-one
SMILESO=C(CCCS(=O)c1cccs1)c1cccs1
InChIInChI=1S/C12H12O2S3/c13-10(11-5-1-7-15-11)4-3-9-17(14)12-6-2-8-16-12/h1-2,5-8H,3-4,9H2
InChIKeyVHYOZYWODAGVDF-UHFFFAOYSA-N
XLogP3.58
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,5-dichlorophenyl)sulfinyl-1-thiophen-2-ylbutan-1-one
CID 64637636
4-amino-1-thiophen-2-ylbutan-1-one
CID 55267003
5-hydroxy-1-thiophen-2-ylpentan-1-one
CID 102168662
4-(2,3-dihydro-1H-inden-5-ylsulfinyl)-1-thiophen-2-ylbutan-1-one
CID 64638484
6,6-dimethyl-1-thiophen-2-ylheptane-1,5-dione
CID 15128597
4-cyclohexylsulfinyl-1-thiophen-2-ylbutan-1-one
CID 64641156
1-thiophen-2-ylpentane-1,4-dione
CID 2741853
4-[bis(2-hydroxyethyl)amino]-1-thiophen-2-ylbutan-1-one
CID 60686397
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-thiophen-2-ylbutan-1-one
CID 104563857
4-phenoxy-1-thiophen-2-ylbutan-1-one
CID 43793631
4-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylbutan-1-one
CID 43229376
1-thiophen-2-yl-4-(trifluoromethylsulfanyl)butan-1-one
CID 138977025

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-yl-4-thiophen-2-ylsulfinylbutan-1-one?
The IUPAC name of 1-thiophen-2-yl-4-thiophen-2-ylsulfinylbutan-1-one (CID 64638878) is 1-thiophen-2-yl-4-thiophen-2-ylsulfinylbutan-1-one.
What is the SMILES notation for 1-thiophen-2-yl-4-thiophen-2-ylsulfinylbutan-1-one?
The canonical SMILES for 1-thiophen-2-yl-4-thiophen-2-ylsulfinylbutan-1-one is O=C(CCCS(=O)c1cccs1)c1cccs1.
What is the InChIKey of 1-thiophen-2-yl-4-thiophen-2-ylsulfinylbutan-1-one?
The InChIKey is VHYOZYWODAGVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2S3/c13-10(11-5-1-7-15-11)4-3-9-17(14)12-6-2-8-16-12/h1-2,5-8H,3-4,9H2.
What are the key properties of 1-thiophen-2-yl-4-thiophen-2-ylsulfinylbutan-1-one?
1-thiophen-2-yl-4-thiophen-2-ylsulfinylbutan-1-one has a molecular weight of 284.43 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-yl-4-thiophen-2-ylsulfinylbutan-1-one is sourced from PubChem (CID 64638878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).