methyl 2-hydroxy-2,2-dithiophen-2-ylacetate

C11H10O3S2 — CID 11414137

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

About methyl 2-hydroxy-2,2-dithiophen-2-ylacetate

methyl 2-hydroxy-2,2-dithiophen-2-ylacetate (PubChem CID 11414137) has the molecular formula C11H10O3S2 and a molecular weight of 254.33 g/mol. Its IUPAC name is methyl 2-hydroxy-2,2-dithiophen-2-ylacetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2,2-dithiophen-2-ylacetate
PubChem CID11414137
Molecular FormulaC11H10O3S2
Molecular Weight254.33 g/mol
Exact Mass254.01
IUPAC Namemethyl 2-hydroxy-2,2-dithiophen-2-ylacetate
SMILESCOC(=O)C(O)(c1cccs1)c1cccs1
InChIInChI=1S/C11H10O3S2/c1-14-10(12)11(13,8-4-2-6-15-8)9-5-3-7-16-9/h2-7,13H,1H3
InChIKeySYHWYWHVEQQDMO-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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Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2,2-dithiophen-2-ylacetate?
The IUPAC name of methyl 2-hydroxy-2,2-dithiophen-2-ylacetate (CID 11414137) is methyl 2-hydroxy-2,2-dithiophen-2-ylacetate.
What is the SMILES notation for methyl 2-hydroxy-2,2-dithiophen-2-ylacetate?
The canonical SMILES for methyl 2-hydroxy-2,2-dithiophen-2-ylacetate is COC(=O)C(O)(c1cccs1)c1cccs1.
What is the InChIKey of methyl 2-hydroxy-2,2-dithiophen-2-ylacetate?
The InChIKey is SYHWYWHVEQQDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3S2/c1-14-10(12)11(13,8-4-2-6-15-8)9-5-3-7-16-9/h2-7,13H,1H3.
What are the key properties of methyl 2-hydroxy-2,2-dithiophen-2-ylacetate?
methyl 2-hydroxy-2,2-dithiophen-2-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-2,2-dithiophen-2-ylacetate is sourced from PubChem (CID 11414137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).