[phenyl(thiophosphoroso)methyl]benzene

C13H11PS — CID 57154658

IUPAC[phenyl(thiophosphoroso)methyl]benzene
SMILESS=PC(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H11PS/c15-14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H
InChIKeyTUCVAZNQKNNDAW-UHFFFAOYSA-N
MW230.27 g/mol
LogP4.18
Rot. Bonds3

About [phenyl(thiophosphoroso)methyl]benzene

[phenyl(thiophosphoroso)methyl]benzene (PubChem CID 57154658) has the molecular formula C13H11PS and a molecular weight of 230.27 g/mol. Its IUPAC name is [phenyl(thiophosphoroso)methyl]benzene.

Molecular Properties

Compound Name[phenyl(thiophosphoroso)methyl]benzene
PubChem CID57154658
Molecular FormulaC13H11PS
Molecular Weight230.27 g/mol
Exact Mass230.03
IUPAC Name[phenyl(thiophosphoroso)methyl]benzene
SMILESS=PC(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H11PS/c15-14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H
InChIKeyTUCVAZNQKNNDAW-UHFFFAOYSA-N
XLogP4.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2-diphenylethane-1,2-diol
CID 159073808
1-[4-(1,2-dihydroxy-2-phenylethyl)phenyl]-2-phenylethane-1,2-diol
CID 14066931
benzene;2-phenylethane-1,1,2-triol
CID 174439943
lithium benzhydrylbenzene
CID 18381038
azane;benzhydrylbenzene
CID 70581647
1,2,3-triphenylpropane-1,3-diol
CID 59738959
benzhydryl(sulfanylidene)phosphanium
CID 154133717
(1S)-1,2,2-triphenylethanol
CID 38988933
(1R,2S,3S,4S,5S,6R)-1,6-diphenylhexane-1,2,3,4,5,6-hexol
CID 134931219
(1,3-difluoro-1,3-diphenylpropan-2-yl)benzene
CID 101190524
[(1R,2R)-1,2-dibromo-2-phenylethyl]benzene
CID 3010073
[(1S,2S)-1,2-dibromo-2-phenylethyl]benzene
CID 10969851

Frequently Asked Questions

What is the IUPAC name of [phenyl(thiophosphoroso)methyl]benzene?
The IUPAC name of [phenyl(thiophosphoroso)methyl]benzene (CID 57154658) is [phenyl(thiophosphoroso)methyl]benzene.
What is the SMILES notation for [phenyl(thiophosphoroso)methyl]benzene?
The canonical SMILES for [phenyl(thiophosphoroso)methyl]benzene is S=PC(c1ccccc1)c1ccccc1.
What is the InChIKey of [phenyl(thiophosphoroso)methyl]benzene?
The InChIKey is TUCVAZNQKNNDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11PS/c15-14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H.
What are the key properties of [phenyl(thiophosphoroso)methyl]benzene?
[phenyl(thiophosphoroso)methyl]benzene has a molecular weight of 230.27 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [phenyl(thiophosphoroso)methyl]benzene is sourced from PubChem (CID 57154658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).