ethyl 2-bromo-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate

C10H11BrO3S — CID 130113592

IUPACethyl 2-bromo-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate
SMILESCCOC(=O)c1c(Br)sc2c1CCOC2
InChIInChI=1S/C10H11BrO3S/c1-2-14-10(12)8-6-3-4-13-5-7(6)15-9(8)11/h2-5H2,1H3
InChIKeyZUBYIWIXDVHCFB-UHFFFAOYSA-N
MW291.17 g/mol
LogP2.76
Rot. Bonds2

About ethyl 2-bromo-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate

ethyl 2-bromo-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate (PubChem CID 130113592) has the molecular formula C10H11BrO3S and a molecular weight of 291.17 g/mol. Its IUPAC name is ethyl 2-bromo-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-bromo-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate
PubChem CID130113592
Molecular FormulaC10H11BrO3S
Molecular Weight291.17 g/mol
Exact Mass289.96
IUPAC Nameethyl 2-bromo-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate
SMILESCCOC(=O)c1c(Br)sc2c1CCOC2
InChIInChI=1S/C10H11BrO3S/c1-2-14-10(12)8-6-3-4-13-5-7(6)15-9(8)11/h2-5H2,1H3
InChIKeyZUBYIWIXDVHCFB-UHFFFAOYSA-N
XLogP2.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.17
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-bromo-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate?
The IUPAC name of ethyl 2-bromo-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate (CID 130113592) is ethyl 2-bromo-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate.
What is the SMILES notation for ethyl 2-bromo-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate?
The canonical SMILES for ethyl 2-bromo-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate is CCOC(=O)c1c(Br)sc2c1CCOC2.
What is the InChIKey of ethyl 2-bromo-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate?
The InChIKey is ZUBYIWIXDVHCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO3S/c1-2-14-10(12)8-6-3-4-13-5-7(6)15-9(8)11/h2-5H2,1H3.
What are the key properties of ethyl 2-bromo-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate?
ethyl 2-bromo-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate has a molecular weight of 291.17 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-bromo-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate is sourced from PubChem (CID 130113592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).