2-bromo-3,4-diethylthiophene;phosphoric acid

C8H14BrO4PS — CID 175527420

IUPAC2-bromo-3,4-diethylthiophene;phosphoric acid
SMILESCCc1csc(Br)c1CC.O=P(O)(O)O
InChIInChI=1S/C8H11BrS.H3O4P/c1-3-6-5-10-8(9)7(6)4-2;1-5(2,3)4/h5H,3-4H2,1-2H3;(H3,1,2,3,4)
InChIKeyFHVIGYKOVVDWLH-UHFFFAOYSA-N
MW317.14 g/mol
LogP2.71
Rot. Bonds2

About 2-bromo-3,4-diethylthiophene;phosphoric acid

2-bromo-3,4-diethylthiophene;phosphoric acid (PubChem CID 175527420) has the molecular formula C8H14BrO4PS and a molecular weight of 317.14 g/mol. Its IUPAC name is 2-bromo-3,4-diethylthiophene;phosphoric acid.

Molecular Properties

Compound Name2-bromo-3,4-diethylthiophene;phosphoric acid
PubChem CID175527420
Molecular FormulaC8H14BrO4PS
Molecular Weight317.14 g/mol
Exact Mass315.95
IUPAC Name2-bromo-3,4-diethylthiophene;phosphoric acid
SMILESCCc1csc(Br)c1CC.O=P(O)(O)O
InChIInChI=1S/C8H11BrS.H3O4P/c1-3-6-5-10-8(9)7(6)4-2;1-5(2,3)4/h5H,3-4H2,1-2H3;(H3,1,2,3,4)
InChIKeyFHVIGYKOVVDWLH-UHFFFAOYSA-N
XLogP2.71
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.14
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3,4-diethylthiophene;phosphoric acid?
The IUPAC name of 2-bromo-3,4-diethylthiophene;phosphoric acid (CID 175527420) is 2-bromo-3,4-diethylthiophene;phosphoric acid.
What is the SMILES notation for 2-bromo-3,4-diethylthiophene;phosphoric acid?
The canonical SMILES for 2-bromo-3,4-diethylthiophene;phosphoric acid is CCc1csc(Br)c1CC.O=P(O)(O)O.
What is the InChIKey of 2-bromo-3,4-diethylthiophene;phosphoric acid?
The InChIKey is FHVIGYKOVVDWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrS.H3O4P/c1-3-6-5-10-8(9)7(6)4-2;1-5(2,3)4/h5H,3-4H2,1-2H3;(H3,1,2,3,4).
What are the key properties of 2-bromo-3,4-diethylthiophene;phosphoric acid?
2-bromo-3,4-diethylthiophene;phosphoric acid has a molecular weight of 317.14 g/mol, XLogP of 2.71, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3,4-diethylthiophene;phosphoric acid is sourced from PubChem (CID 175527420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).