diphenylphosphanylmethanethiol

C13H13PS — CID 11230015

IUPACdiphenylphosphanylmethanethiol
SMILESSCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H13PS/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2
InChIKeyIGEZSSBBLDNMPJ-UHFFFAOYSA-N
MW232.29 g/mol
LogP3.01
Rot. Bonds3

About diphenylphosphanylmethanethiol

diphenylphosphanylmethanethiol (PubChem CID 11230015) has the molecular formula C13H13PS and a molecular weight of 232.29 g/mol. Its IUPAC name is diphenylphosphanylmethanethiol.

Molecular Properties

Compound Namediphenylphosphanylmethanethiol
PubChem CID11230015
Molecular FormulaC13H13PS
Molecular Weight232.29 g/mol
Exact Mass232.05
IUPAC Namediphenylphosphanylmethanethiol
SMILESSCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H13PS/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2
InChIKeyIGEZSSBBLDNMPJ-UHFFFAOYSA-N
XLogP3.01
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

copper;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 172691884
diphenylphosphanylmethyl(diphenyl)phosphane;ruthenium
CID 87761562
diphenylphosphanylmethyl(diphenyl)phosphane;sulfane
CID 18991635
bis(2-diphenylphosphanylethyl(diphenyl)phosphane);gold(1+);bromide
CID 173374421
diphenylphosphanylmethyl(diphenyl)phosphane;rhenium;trichloride;hydroxide
CID 71678326
chromium;ethyl(diphenyl)phosphane
CID 152678584
bromogold;bis(2-diphenylphosphanylethyl(diphenyl)phosphane)
CID 15017629
tris(diphenylphosphanylmethyl)azanium
CID 132563502
chloronickel;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 12000429
1,2-bis(diphenylphosphanyl)ethane-1,1-dithiol
CID 88810681
2-diphenylphosphanylethylazanium tetrafluoroborate
CID 71463643
methoxymethyl(diphenyl)phosphane
CID 819497

Frequently Asked Questions

What is the IUPAC name of diphenylphosphanylmethanethiol?
The IUPAC name of diphenylphosphanylmethanethiol (CID 11230015) is diphenylphosphanylmethanethiol.
What is the SMILES notation for diphenylphosphanylmethanethiol?
The canonical SMILES for diphenylphosphanylmethanethiol is SCP(c1ccccc1)c1ccccc1.
What is the InChIKey of diphenylphosphanylmethanethiol?
The InChIKey is IGEZSSBBLDNMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13PS/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2.
What are the key properties of diphenylphosphanylmethanethiol?
diphenylphosphanylmethanethiol has a molecular weight of 232.29 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylphosphanylmethanethiol is sourced from PubChem (CID 11230015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).