2-[(E)-2-dimethoxyphosphorylethenyl]thiophene

C8H11O3PS — CID 21470240

IUPAC2-[(E)-2-dimethoxyphosphorylethenyl]thiophene
SMILESCOP(=O)(/C=C/c1cccs1)OC
InChIInChI=1S/C8H11O3PS/c1-10-12(9,11-2)6-5-8-4-3-7-13-8/h3-7H,1-2H3/b6-5+
InChIKeyALSKDNKFWIUXGV-AATRIKPKSA-N
MW218.21 g/mol
LogP3.20
Rot. Bonds4

About 2-[(E)-2-dimethoxyphosphorylethenyl]thiophene

2-[(E)-2-dimethoxyphosphorylethenyl]thiophene (PubChem CID 21470240) has the molecular formula C8H11O3PS and a molecular weight of 218.21 g/mol. Its IUPAC name is 2-[(E)-2-dimethoxyphosphorylethenyl]thiophene.

Molecular Properties

Compound Name2-[(E)-2-dimethoxyphosphorylethenyl]thiophene
PubChem CID21470240
Molecular FormulaC8H11O3PS
Molecular Weight218.21 g/mol
Exact Mass218.02
IUPAC Name2-[(E)-2-dimethoxyphosphorylethenyl]thiophene
SMILESCOP(=O)(/C=C/c1cccs1)OC
InChIInChI=1S/C8H11O3PS/c1-10-12(9,11-2)6-5-8-4-3-7-13-8/h3-7H,1-2H3/b6-5+
InChIKeyALSKDNKFWIUXGV-AATRIKPKSA-N
XLogP3.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[(E)-2-dimethoxyphosphorylethenyl]thiophene?
The IUPAC name of 2-[(E)-2-dimethoxyphosphorylethenyl]thiophene (CID 21470240) is 2-[(E)-2-dimethoxyphosphorylethenyl]thiophene.
What is the SMILES notation for 2-[(E)-2-dimethoxyphosphorylethenyl]thiophene?
The canonical SMILES for 2-[(E)-2-dimethoxyphosphorylethenyl]thiophene is COP(=O)(/C=C/c1cccs1)OC.
What is the InChIKey of 2-[(E)-2-dimethoxyphosphorylethenyl]thiophene?
The InChIKey is ALSKDNKFWIUXGV-AATRIKPKSA-N. The full InChI is InChI=1S/C8H11O3PS/c1-10-12(9,11-2)6-5-8-4-3-7-13-8/h3-7H,1-2H3/b6-5+.
What are the key properties of 2-[(E)-2-dimethoxyphosphorylethenyl]thiophene?
2-[(E)-2-dimethoxyphosphorylethenyl]thiophene has a molecular weight of 218.21 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-dimethoxyphosphorylethenyl]thiophene is sourced from PubChem (CID 21470240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).