methyl-(2-methylphenyl)-sulfanylidenephosphanium

C8H10PS+ — CID 56633604

IUPACmethyl-(2-methylphenyl)-sulfanylidenephosphanium
SMILESCc1ccccc1[P+](C)=S
InChIInChI=1S/C8H10PS/c1-7-5-3-4-6-8(7)9(2)10/h3-6H,1-2H3/q+1
InChIKeyRFNKRTZTHYXIHP-UHFFFAOYSA-N
MW169.21 g/mol
LogP2.19
Rot. Bonds1

About methyl-(2-methylphenyl)-sulfanylidenephosphanium

methyl-(2-methylphenyl)-sulfanylidenephosphanium (PubChem CID 56633604) has the molecular formula C8H10PS+ and a molecular weight of 169.21 g/mol. Its IUPAC name is methyl-(2-methylphenyl)-sulfanylidenephosphanium.

Molecular Properties

Compound Namemethyl-(2-methylphenyl)-sulfanylidenephosphanium
PubChem CID56633604
Molecular FormulaC8H10PS+
Molecular Weight169.21 g/mol
Exact Mass169.02
IUPAC Namemethyl-(2-methylphenyl)-sulfanylidenephosphanium
SMILESCc1ccccc1[P+](C)=S
InChIInChI=1S/C8H10PS/c1-7-5-3-4-6-8(7)9(2)10/h3-6H,1-2H3/q+1
InChIKeyRFNKRTZTHYXIHP-UHFFFAOYSA-N
XLogP2.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.21
LogP ≤ 52.19
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 methyl-(2-methylphenyl)-sulfanylidenephosphanium?
The IUPAC name of methyl-(2-methylphenyl)-sulfanylidenephosphanium (CID 56633604) is methyl-(2-methylphenyl)-sulfanylidenephosphanium.
What is the SMILES notation for methyl-(2-methylphenyl)-sulfanylidenephosphanium?
The canonical SMILES for methyl-(2-methylphenyl)-sulfanylidenephosphanium is Cc1ccccc1[P+](C)=S.
What is the InChIKey of methyl-(2-methylphenyl)-sulfanylidenephosphanium?
The InChIKey is RFNKRTZTHYXIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10PS/c1-7-5-3-4-6-8(7)9(2)10/h3-6H,1-2H3/q+1.
What are the key properties of methyl-(2-methylphenyl)-sulfanylidenephosphanium?
methyl-(2-methylphenyl)-sulfanylidenephosphanium has a molecular weight of 169.21 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(2-methylphenyl)-sulfanylidenephosphanium is sourced from PubChem (CID 56633604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).