methyl(phenoxysulfanyl)phosphane

C7H9OPS — CID 141436793

IUPACmethyl(phenoxysulfanyl)phosphane
SMILESCPSOc1ccccc1
InChIInChI=1S/C7H9OPS/c1-9-10-8-7-5-3-2-4-6-7/h2-6,9H,1H3
InChIKeySZIDLPIOMLNOEW-UHFFFAOYSA-N
MW172.19 g/mol
LogP2.94
Rot. Bonds3

About methyl(phenoxysulfanyl)phosphane

methyl(phenoxysulfanyl)phosphane (PubChem CID 141436793) has the molecular formula C7H9OPS and a molecular weight of 172.19 g/mol. Its IUPAC name is methyl(phenoxysulfanyl)phosphane.

Molecular Properties

Compound Namemethyl(phenoxysulfanyl)phosphane
PubChem CID141436793
Molecular FormulaC7H9OPS
Molecular Weight172.19 g/mol
Exact Mass172.01
IUPAC Namemethyl(phenoxysulfanyl)phosphane
SMILESCPSOc1ccccc1
InChIInChI=1S/C7H9OPS/c1-9-10-8-7-5-3-2-4-6-7/h2-6,9H,1H3
InChIKeySZIDLPIOMLNOEW-UHFFFAOYSA-N
XLogP2.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl(phenoxysulfanyl)phosphane?
The IUPAC name of methyl(phenoxysulfanyl)phosphane (CID 141436793) is methyl(phenoxysulfanyl)phosphane.
What is the SMILES notation for methyl(phenoxysulfanyl)phosphane?
The canonical SMILES for methyl(phenoxysulfanyl)phosphane is CPSOc1ccccc1.
What is the InChIKey of methyl(phenoxysulfanyl)phosphane?
The InChIKey is SZIDLPIOMLNOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9OPS/c1-9-10-8-7-5-3-2-4-6-7/h2-6,9H,1H3.
What are the key properties of methyl(phenoxysulfanyl)phosphane?
methyl(phenoxysulfanyl)phosphane has a molecular weight of 172.19 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(phenoxysulfanyl)phosphane is sourced from PubChem (CID 141436793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).