methyl 2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylacetate

C11H10O3S2 — CID 118798449

IUPACmethyl 2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylacetate
SMILESCOC(=O)C(O)(c1ccsc1)c1cccs1
InChIInChI=1S/C11H10O3S2/c1-14-10(12)11(13,8-4-6-15-7-8)9-3-2-5-16-9/h2-7,13H,1H3
InChIKeyHUFFVYBQYVJQPH-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.22
Rot. Bonds3

About methyl 2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylacetate

methyl 2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylacetate (PubChem CID 118798449) has the molecular formula C11H10O3S2 and a molecular weight of 254.33 g/mol. Its IUPAC name is methyl 2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylacetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylacetate
PubChem CID118798449
Molecular FormulaC11H10O3S2
Molecular Weight254.33 g/mol
Exact Mass254.01
IUPAC Namemethyl 2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylacetate
SMILESCOC(=O)C(O)(c1ccsc1)c1cccs1
InChIInChI=1S/C11H10O3S2/c1-14-10(12)11(13,8-4-6-15-7-8)9-3-2-5-16-9/h2-7,13H,1H3
InChIKeyHUFFVYBQYVJQPH-UHFFFAOYSA-N
XLogP2.22
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(2-bromophenyl)-2-hydroxy-2-thiophen-2-ylacetate
CID 171477878
1-hydroxy-1,1-dithiophen-2-ylpropan-2-one
CID 23553455
N-ethyl-N'-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide
CID 121170273
1-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-3-propylurea
CID 121170348
2-amino-1-thiophen-2-yl-1-thiophen-3-ylethanol
CID 139027677
methyl 3-hydroxy-2-methyl-3-thiophen-2-ylbutanoate
CID 72784913
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-2,3,4-trimethoxybenzamide
CID 121170123
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-2-thiophen-3-ylacetamide
CID 121170151
N'-(3,5-dimethylphenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide
CID 121170293
N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]thiophene-3-carboxamide
CID 95983240
2-methylbut-3-yn-2-yl 2-hydroxy-2-phenyl-2-thiophen-2-ylacetate
CID 15752893
dimethyl (2R)-3-diazo-2-hydroxy-2-thiophen-2-ylbutanedioate
CID 164683814

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylacetate?
The IUPAC name of methyl 2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylacetate (CID 118798449) is methyl 2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylacetate.
What is the SMILES notation for methyl 2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylacetate?
The canonical SMILES for methyl 2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylacetate is COC(=O)C(O)(c1ccsc1)c1cccs1.
What is the InChIKey of methyl 2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylacetate?
The InChIKey is HUFFVYBQYVJQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3S2/c1-14-10(12)11(13,8-4-6-15-7-8)9-3-2-5-16-9/h2-7,13H,1H3.
What are the key properties of methyl 2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylacetate?
methyl 2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylacetate has a molecular weight of 254.33 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylacetate is sourced from PubChem (CID 118798449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).