methyl-phenyl-sulfanyl-sulfanylidene-lambda5-phosphane

C7H9PS2 — CID 586594

IUPACmethyl-phenyl-sulfanyl-sulfanylidene-lambda5-phosphane
SMILESCP(=S)(S)c1ccccc1
InChIInChI=1S/C7H9PS2/c1-8(9,10)7-5-3-2-4-6-7/h2-6H,1H3,(H,9,10)
InChIKeyZYAFPQLGISSPIY-UHFFFAOYSA-N
MW188.26 g/mol
LogP2.27
Rot. Bonds1

About methyl-phenyl-sulfanyl-sulfanylidene-lambda5-phosphane

methyl-phenyl-sulfanyl-sulfanylidene-lambda5-phosphane (PubChem CID 586594) has the molecular formula C7H9PS2 and a molecular weight of 188.26 g/mol. Its IUPAC name is methyl-phenyl-sulfanyl-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Namemethyl-phenyl-sulfanyl-sulfanylidene-lambda5-phosphane
PubChem CID586594
Molecular FormulaC7H9PS2
Molecular Weight188.26 g/mol
Exact Mass187.99
IUPAC Namemethyl-phenyl-sulfanyl-sulfanylidene-lambda5-phosphane
SMILESCP(=S)(S)c1ccccc1
InChIInChI=1S/C7H9PS2/c1-8(9,10)7-5-3-2-4-6-7/h2-6H,1H3,(H,9,10)
InChIKeyZYAFPQLGISSPIY-UHFFFAOYSA-N
XLogP2.27
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.26
LogP ≤ 52.27
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

dimethyl-phenyl-sulfanylidene-λ5-phosphane;ethane
CID 91466135
CID 50986602
CID 50986602
methoxy-methyl-phenyl-sulfanylidene-λ5-phosphane
CID 12650712
bromo-diphenyl-sulfanylidene-λ5-phosphane
CID 23415811
Diphenylselenothiophosphinic acid
CID 11243432
oxido-diphenyl-sulfanylidene-λ5-phosphane
CID 3382215
hydroxy-diphenyl-sulfanylidene-λ5-phosphane;hydrochloride
CID 172809471
ethane;methane;[methyl(phenyl)phosphoryl]benzene
CID 162150444
phenyl-[4-[(E)-2-phenylethenyl]phenyl]-sulfanyl-sulfanylidene-λ5-phosphane
CID 101374018
4-[(4-methylphenyl)-phenylphosphinothioyl]benzenethiol
CID 142944863
(2-methylphenyl)-diphenyl-sulfanylidene-lambda5-phosphane
CID 13238195
phenyl-dipropyl-sulfanylidene-λ5-phosphane
CID 135075774

Frequently Asked Questions

What is the IUPAC name of methyl-phenyl-sulfanyl-sulfanylidene-lambda5-phosphane?
The IUPAC name of methyl-phenyl-sulfanyl-sulfanylidene-lambda5-phosphane (CID 586594) is methyl-phenyl-sulfanyl-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for methyl-phenyl-sulfanyl-sulfanylidene-lambda5-phosphane?
The canonical SMILES for methyl-phenyl-sulfanyl-sulfanylidene-lambda5-phosphane is CP(=S)(S)c1ccccc1.
What is the InChIKey of methyl-phenyl-sulfanyl-sulfanylidene-lambda5-phosphane?
The InChIKey is ZYAFPQLGISSPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9PS2/c1-8(9,10)7-5-3-2-4-6-7/h2-6H,1H3,(H,9,10).
What are the key properties of methyl-phenyl-sulfanyl-sulfanylidene-lambda5-phosphane?
methyl-phenyl-sulfanyl-sulfanylidene-lambda5-phosphane has a molecular weight of 188.26 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-phenyl-sulfanyl-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 586594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).