[(E)-2-thiophen-3-ylethenyl]phosphonic acid

C6H7O3PS — CID 42604712

IUPAC[(E)-2-thiophen-3-ylethenyl]phosphonic acid
SMILESO=P(O)(O)/C=C/c1ccsc1
InChIInChI=1S/C6H7O3PS/c7-10(8,9)3-1-6-2-4-11-5-6/h1-5H,(H2,7,8,9)/b3-1+
InChIKeyWZPOVHRLPIQTPO-HNQUOIGGSA-N
MW190.16 g/mol
LogP1.90
Rot. Bonds2

About [(E)-2-thiophen-3-ylethenyl]phosphonic acid

[(E)-2-thiophen-3-ylethenyl]phosphonic acid (PubChem CID 42604712) has the molecular formula C6H7O3PS and a molecular weight of 190.16 g/mol. Its IUPAC name is [(E)-2-thiophen-3-ylethenyl]phosphonic acid.

Molecular Properties

Compound Name[(E)-2-thiophen-3-ylethenyl]phosphonic acid
PubChem CID42604712
Molecular FormulaC6H7O3PS
Molecular Weight190.16 g/mol
Exact Mass189.99
IUPAC Name[(E)-2-thiophen-3-ylethenyl]phosphonic acid
SMILESO=P(O)(O)/C=C/c1ccsc1
InChIInChI=1S/C6H7O3PS/c7-10(8,9)3-1-6-2-4-11-5-6/h1-5H,(H2,7,8,9)/b3-1+
InChIKeyWZPOVHRLPIQTPO-HNQUOIGGSA-N
XLogP1.90
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-oxo-4-thiophen-3-ylbut-3-enoic acid
CID 18436648
(E)-4-thiophen-3-ylbut-3-enoic acid
CID 23369401
4-methyl-1-thiophen-3-ylpent-1-en-3-one
CID 54153375
methyl (Z)-3-thiophen-3-ylprop-2-enoate
CID 35026955
(Z)-1-phenyl-3-thiophen-3-ylprop-2-en-1-one
CID 54608846
2-[(E)-2-thiophen-3-ylethenyl]phenol
CID 12520080
2-[(E)-2-thiophen-3-ylethenyl]-1,3-thiazole-4-carboxylic acid
CID 166178289
3-thiophen-3-ylprop-2-ene-1-thiol
CID 169454515
3-[(E)-but-1-enyl]thiophene
CID 15047169
(E)-3-thiophen-3-yl-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one
CID 101145924
3-[(1E)-4-methylpenta-1,4-dienyl]thiophene
CID 18954556
3-[(E)-2-(4-methylsulfonylphenyl)ethenyl]thiophene
CID 52949357

Frequently Asked Questions

What is the IUPAC name of [(E)-2-thiophen-3-ylethenyl]phosphonic acid?
The IUPAC name of [(E)-2-thiophen-3-ylethenyl]phosphonic acid (CID 42604712) is [(E)-2-thiophen-3-ylethenyl]phosphonic acid.
What is the SMILES notation for [(E)-2-thiophen-3-ylethenyl]phosphonic acid?
The canonical SMILES for [(E)-2-thiophen-3-ylethenyl]phosphonic acid is O=P(O)(O)/C=C/c1ccsc1.
What is the InChIKey of [(E)-2-thiophen-3-ylethenyl]phosphonic acid?
The InChIKey is WZPOVHRLPIQTPO-HNQUOIGGSA-N. The full InChI is InChI=1S/C6H7O3PS/c7-10(8,9)3-1-6-2-4-11-5-6/h1-5H,(H2,7,8,9)/b3-1+.
What are the key properties of [(E)-2-thiophen-3-ylethenyl]phosphonic acid?
[(E)-2-thiophen-3-ylethenyl]phosphonic acid has a molecular weight of 190.16 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-thiophen-3-ylethenyl]phosphonic acid is sourced from PubChem (CID 42604712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).