1-hydroxy-1,1-dithiophen-2-ylpropan-2-one

C11H10O2S2 — CID 23553455

IUPAC1-hydroxy-1,1-dithiophen-2-ylpropan-2-one
SMILESCC(=O)C(O)(c1cccs1)c1cccs1
InChIInChI=1S/C11H10O2S2/c1-8(12)11(13,9-4-2-6-14-9)10-5-3-7-15-10/h2-7,13H,1H3
InChIKeyLXKBCMVVFLCGSC-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.63
Rot. Bonds3

About 1-hydroxy-1,1-dithiophen-2-ylpropan-2-one

1-hydroxy-1,1-dithiophen-2-ylpropan-2-one (PubChem CID 23553455) has the molecular formula C11H10O2S2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-hydroxy-1,1-dithiophen-2-ylpropan-2-one.

Molecular Properties

Compound Name1-hydroxy-1,1-dithiophen-2-ylpropan-2-one
PubChem CID23553455
Molecular FormulaC11H10O2S2
Molecular Weight238.33 g/mol
Exact Mass238.01
IUPAC Name1-hydroxy-1,1-dithiophen-2-ylpropan-2-one
SMILESCC(=O)C(O)(c1cccs1)c1cccs1
InChIInChI=1S/C11H10O2S2/c1-8(12)11(13,9-4-2-6-14-9)10-5-3-7-15-10/h2-7,13H,1H3
InChIKeyLXKBCMVVFLCGSC-UHFFFAOYSA-N
XLogP2.63
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-2,2-dithiophen-2-ylacetic acid;hydrate
CID 141178133
bromomethane;2-hydroxy-2,2-dithiophen-2-ylacetate
CID 19968462
4,4,4-trifluoro-3-hydroxy-3-thiophen-2-ylbutan-2-one
CID 71067149
3-methyl-2-thiophen-2-ylbut-3-en-2-ol
CID 79189785
2-methyl-2-thiophen-2-ylpropanoic acid;hydrochloride
CID 67842906
2-(2-bromopropan-2-yl)thiophene
CID 174915633
methyl 2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylacetate
CID 118798449
methyl 3-hydroxy-2-methyl-3-thiophen-2-ylbutanoate
CID 72784913
3-amino-3-thiophen-2-ylbutanoic acid
CID 55270951
(1R)-1-phenyl-1-thiophen-2-ylethanol
CID 674763
1,1-diethyl-3-(2-thiophen-2-ylpropan-2-yl)urea
CID 110870552
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,2-dimethylpropanamide
CID 71782337

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1,1-dithiophen-2-ylpropan-2-one?
The IUPAC name of 1-hydroxy-1,1-dithiophen-2-ylpropan-2-one (CID 23553455) is 1-hydroxy-1,1-dithiophen-2-ylpropan-2-one.
What is the SMILES notation for 1-hydroxy-1,1-dithiophen-2-ylpropan-2-one?
The canonical SMILES for 1-hydroxy-1,1-dithiophen-2-ylpropan-2-one is CC(=O)C(O)(c1cccs1)c1cccs1.
What is the InChIKey of 1-hydroxy-1,1-dithiophen-2-ylpropan-2-one?
The InChIKey is LXKBCMVVFLCGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2S2/c1-8(12)11(13,9-4-2-6-14-9)10-5-3-7-15-10/h2-7,13H,1H3.
What are the key properties of 1-hydroxy-1,1-dithiophen-2-ylpropan-2-one?
1-hydroxy-1,1-dithiophen-2-ylpropan-2-one has a molecular weight of 238.33 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1,1-dithiophen-2-ylpropan-2-one is sourced from PubChem (CID 23553455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).