(5-bromothiophen-2-yl) phosphanylformate

C5H4BrO2PS — CID 20789572

IUPAC(5-bromothiophen-2-yl) phosphanylformate
SMILESO=C(P)Oc1ccc(Br)s1
InChIInChI=1S/C5H4BrO2PS/c6-3-1-2-4(10-3)8-5(7)9/h1-2H,9H2
InChIKeyALEITEXSYDDGRM-UHFFFAOYSA-N
MW239.03 g/mol
LogP2.88
Rot. Bonds1

About (5-bromothiophen-2-yl) phosphanylformate

(5-bromothiophen-2-yl) phosphanylformate (PubChem CID 20789572) has the molecular formula C5H4BrO2PS and a molecular weight of 239.03 g/mol. Its IUPAC name is (5-bromothiophen-2-yl) phosphanylformate.

Molecular Properties

Compound Name(5-bromothiophen-2-yl) phosphanylformate
PubChem CID20789572
Molecular FormulaC5H4BrO2PS
Molecular Weight239.03 g/mol
Exact Mass237.89
IUPAC Name(5-bromothiophen-2-yl) phosphanylformate
SMILESO=C(P)Oc1ccc(Br)s1
InChIInChI=1S/C5H4BrO2PS/c6-3-1-2-4(10-3)8-5(7)9/h1-2H,9H2
InChIKeyALEITEXSYDDGRM-UHFFFAOYSA-N
XLogP2.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.03
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl) phosphanylformate?
The IUPAC name of (5-bromothiophen-2-yl) phosphanylformate (CID 20789572) is (5-bromothiophen-2-yl) phosphanylformate.
What is the SMILES notation for (5-bromothiophen-2-yl) phosphanylformate?
The canonical SMILES for (5-bromothiophen-2-yl) phosphanylformate is O=C(P)Oc1ccc(Br)s1.
What is the InChIKey of (5-bromothiophen-2-yl) phosphanylformate?
The InChIKey is ALEITEXSYDDGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrO2PS/c6-3-1-2-4(10-3)8-5(7)9/h1-2H,9H2.
What are the key properties of (5-bromothiophen-2-yl) phosphanylformate?
(5-bromothiophen-2-yl) phosphanylformate has a molecular weight of 239.03 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl) phosphanylformate is sourced from PubChem (CID 20789572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).