(5,6-dimethoxy-1-benzothiophen-2-yl) hydrogen carbonate

C11H10O5S — CID 69363349

IUPAC(5,6-dimethoxy-1-benzothiophen-2-yl) hydrogen carbonate
SMILESCOc1cc2cc(OC(=O)O)sc2cc1OC
InChIInChI=1S/C11H10O5S/c1-14-7-3-6-4-10(16-11(12)13)17-9(6)5-8(7)15-2/h3-5H,1-2H3,(H,12,13)
InChIKeyQPLNMBVOXHJAIS-UHFFFAOYSA-N
MW254.26 g/mol
LogP2.98
Rot. Bonds3

About (5,6-dimethoxy-1-benzothiophen-2-yl) hydrogen carbonate

(5,6-dimethoxy-1-benzothiophen-2-yl) hydrogen carbonate (PubChem CID 69363349) has the molecular formula C11H10O5S and a molecular weight of 254.26 g/mol. Its IUPAC name is (5,6-dimethoxy-1-benzothiophen-2-yl) hydrogen carbonate.

Molecular Properties

Compound Name(5,6-dimethoxy-1-benzothiophen-2-yl) hydrogen carbonate
PubChem CID69363349
Molecular FormulaC11H10O5S
Molecular Weight254.26 g/mol
Exact Mass254.02
IUPAC Name(5,6-dimethoxy-1-benzothiophen-2-yl) hydrogen carbonate
SMILESCOc1cc2cc(OC(=O)O)sc2cc1OC
InChIInChI=1S/C11H10O5S/c1-14-7-3-6-4-10(16-11(12)13)17-9(6)5-8(7)15-2/h3-5H,1-2H3,(H,12,13)
InChIKeyQPLNMBVOXHJAIS-UHFFFAOYSA-N
XLogP2.98
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5,6-dimethoxy-1-benzothiophen-2-yl) hydrogen carbonate?
The IUPAC name of (5,6-dimethoxy-1-benzothiophen-2-yl) hydrogen carbonate (CID 69363349) is (5,6-dimethoxy-1-benzothiophen-2-yl) hydrogen carbonate.
What is the SMILES notation for (5,6-dimethoxy-1-benzothiophen-2-yl) hydrogen carbonate?
The canonical SMILES for (5,6-dimethoxy-1-benzothiophen-2-yl) hydrogen carbonate is COc1cc2cc(OC(=O)O)sc2cc1OC.
What is the InChIKey of (5,6-dimethoxy-1-benzothiophen-2-yl) hydrogen carbonate?
The InChIKey is QPLNMBVOXHJAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O5S/c1-14-7-3-6-4-10(16-11(12)13)17-9(6)5-8(7)15-2/h3-5H,1-2H3,(H,12,13).
What are the key properties of (5,6-dimethoxy-1-benzothiophen-2-yl) hydrogen carbonate?
(5,6-dimethoxy-1-benzothiophen-2-yl) hydrogen carbonate has a molecular weight of 254.26 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-dimethoxy-1-benzothiophen-2-yl) hydrogen carbonate is sourced from PubChem (CID 69363349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).