2,3-bis[(2R)-2,5-ditritiophospholan-1-yl]-1-benzothiophene

C16H20P2S — CID 89244847

IUPAC2,3-bis[(2R)-2,5-ditritiophospholan-1-yl]-1-benzothiophene
SMILES[3H]C1CC[C@@H]([3H])P1c1sc2ccccc2c1P1C([3H])CC[C@H]1[3H]
InChIInChI=1S/C16H20P2S/c1-2-8-14-13(7-1)15(17-9-3-4-10-17)16(19-14)18-11-5-6-12-18/h1-2,7-8H,3-6,9-12H2/i9T,10T,11T,12T/t9-,10?,11-,12?,17?,18?/m1/s1
InChIKeyOGXQDEWHIRTPAX-XLUYVKAKSA-N
MW314.38 g/mol
LogP4.70
Rot. Bonds2

About 2,3-bis[(2R)-2,5-ditritiophospholan-1-yl]-1-benzothiophene

2,3-bis[(2R)-2,5-ditritiophospholan-1-yl]-1-benzothiophene (PubChem CID 89244847) has the molecular formula C16H20P2S and a molecular weight of 314.38 g/mol. Its IUPAC name is 2,3-bis[(2R)-2,5-ditritiophospholan-1-yl]-1-benzothiophene.

Molecular Properties

Compound Name2,3-bis[(2R)-2,5-ditritiophospholan-1-yl]-1-benzothiophene
PubChem CID89244847
Molecular FormulaC16H20P2S
Molecular Weight314.38 g/mol
Exact Mass314.11
IUPAC Name2,3-bis[(2R)-2,5-ditritiophospholan-1-yl]-1-benzothiophene
SMILES[3H]C1CC[C@@H]([3H])P1c1sc2ccccc2c1P1C([3H])CC[C@H]1[3H]
InChIInChI=1S/C16H20P2S/c1-2-8-14-13(7-1)15(17-9-3-4-10-17)16(19-14)18-11-5-6-12-18/h1-2,7-8H,3-6,9-12H2/i9T,10T,11T,12T/t9-,10?,11-,12?,17?,18?/m1/s1
InChIKeyOGXQDEWHIRTPAX-XLUYVKAKSA-N
XLogP4.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis[(2R)-2,5-ditritiophospholan-1-yl]-1-benzothiophene?
The IUPAC name of 2,3-bis[(2R)-2,5-ditritiophospholan-1-yl]-1-benzothiophene (CID 89244847) is 2,3-bis[(2R)-2,5-ditritiophospholan-1-yl]-1-benzothiophene.
What is the SMILES notation for 2,3-bis[(2R)-2,5-ditritiophospholan-1-yl]-1-benzothiophene?
The canonical SMILES for 2,3-bis[(2R)-2,5-ditritiophospholan-1-yl]-1-benzothiophene is [3H]C1CC[C@@H]([3H])P1c1sc2ccccc2c1P1C([3H])CC[C@H]1[3H].
What is the InChIKey of 2,3-bis[(2R)-2,5-ditritiophospholan-1-yl]-1-benzothiophene?
The InChIKey is OGXQDEWHIRTPAX-XLUYVKAKSA-N. The full InChI is InChI=1S/C16H20P2S/c1-2-8-14-13(7-1)15(17-9-3-4-10-17)16(19-14)18-11-5-6-12-18/h1-2,7-8H,3-6,9-12H2/i9T,10T,11T,12T/t9-,10?,11-,12?,17?,18?/m1/s1.
What are the key properties of 2,3-bis[(2R)-2,5-ditritiophospholan-1-yl]-1-benzothiophene?
2,3-bis[(2R)-2,5-ditritiophospholan-1-yl]-1-benzothiophene has a molecular weight of 314.38 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[(2R)-2,5-ditritiophospholan-1-yl]-1-benzothiophene is sourced from PubChem (CID 89244847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).