ethane;methyl 2,5-dimethylthiophene-3-carboxylate

C10H16O2S — CID 143851717

IUPACethane;methyl 2,5-dimethylthiophene-3-carboxylate
SMILESCC.COC(=O)c1cc(C)sc1C
InChIInChI=1S/C8H10O2S.C2H6/c1-5-4-7(6(2)11-5)8(9)10-3;1-2/h4H,1-3H3;1-2H3
InChIKeyYARHFFBQZRPULE-UHFFFAOYSA-N
MW200.30 g/mol
LogP3.18
Rot. Bonds1

About ethane;methyl 2,5-dimethylthiophene-3-carboxylate

ethane;methyl 2,5-dimethylthiophene-3-carboxylate (PubChem CID 143851717) has the molecular formula C10H16O2S and a molecular weight of 200.30 g/mol. Its IUPAC name is ethane;methyl 2,5-dimethylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethane;methyl 2,5-dimethylthiophene-3-carboxylate
PubChem CID143851717
Molecular FormulaC10H16O2S
Molecular Weight200.30 g/mol
Exact Mass200.09
IUPAC Nameethane;methyl 2,5-dimethylthiophene-3-carboxylate
SMILESCC.COC(=O)c1cc(C)sc1C
InChIInChI=1S/C8H10O2S.C2H6/c1-5-4-7(6(2)11-5)8(9)10-3;1-2/h4H,1-3H3;1-2H3
InChIKeyYARHFFBQZRPULE-UHFFFAOYSA-N
XLogP3.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;methyl 2,5-dimethylthiophene-3-carboxylate?
The IUPAC name of ethane;methyl 2,5-dimethylthiophene-3-carboxylate (CID 143851717) is ethane;methyl 2,5-dimethylthiophene-3-carboxylate.
What is the SMILES notation for ethane;methyl 2,5-dimethylthiophene-3-carboxylate?
The canonical SMILES for ethane;methyl 2,5-dimethylthiophene-3-carboxylate is CC.COC(=O)c1cc(C)sc1C.
What is the InChIKey of ethane;methyl 2,5-dimethylthiophene-3-carboxylate?
The InChIKey is YARHFFBQZRPULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2S.C2H6/c1-5-4-7(6(2)11-5)8(9)10-3;1-2/h4H,1-3H3;1-2H3.
What are the key properties of ethane;methyl 2,5-dimethylthiophene-3-carboxylate?
ethane;methyl 2,5-dimethylthiophene-3-carboxylate has a molecular weight of 200.30 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 2,5-dimethylthiophene-3-carboxylate is sourced from PubChem (CID 143851717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).