(2-methylphenyl)-sulfanylidenephosphanium

C7H8PS+ — CID 151388487

IUPAC(2-methylphenyl)-sulfanylidenephosphanium
SMILESCc1ccccc1[PH+]=S
InChIInChI=1S/C7H7PS/c1-6-4-2-3-5-7(6)8-9/h2-5H,1H3/p+1
InChIKeyOTXSQDAYMAQOAC-UHFFFAOYSA-O
MW155.18 g/mol
LogP1.76
Rot. Bonds1

About (2-methylphenyl)-sulfanylidenephosphanium

(2-methylphenyl)-sulfanylidenephosphanium (PubChem CID 151388487) has the molecular formula C7H8PS+ and a molecular weight of 155.18 g/mol. Its IUPAC name is (2-methylphenyl)-sulfanylidenephosphanium.

Molecular Properties

Compound Name(2-methylphenyl)-sulfanylidenephosphanium
PubChem CID151388487
Molecular FormulaC7H8PS+
Molecular Weight155.18 g/mol
Exact Mass155.01
IUPAC Name(2-methylphenyl)-sulfanylidenephosphanium
SMILESCc1ccccc1[PH+]=S
InChIInChI=1S/C7H7PS/c1-6-4-2-3-5-7(6)8-9/h2-5H,1H3/p+1
InChIKeyOTXSQDAYMAQOAC-UHFFFAOYSA-O
XLogP1.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.18
LogP ≤ 51.76
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-xylene;zirconium
CID 174354618
1,2-xylene
CID 173422016
benzene;1,2-xylene
CID 161464493
vanadium;1,2-xylene
CID 143581691
1,2-xylene;trihydrochloride
CID 70594732
1,2-xylene;tetrahydrobromide
CID 172843014
silver;1,2-xylene
CID 158486133
azane;1,2-xylene
CID 174280305
(2-methylphenyl)-diphenyl-sulfanylidene-lambda5-phosphane
CID 13238195
CID 174747854
CID 174747854
ethane;methane;pentakis(1,2-xylene)
CID 158909718
sodium;hydride;1,2-xylene
CID 173009635

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)-sulfanylidenephosphanium?
The IUPAC name of (2-methylphenyl)-sulfanylidenephosphanium (CID 151388487) is (2-methylphenyl)-sulfanylidenephosphanium.
What is the SMILES notation for (2-methylphenyl)-sulfanylidenephosphanium?
The canonical SMILES for (2-methylphenyl)-sulfanylidenephosphanium is Cc1ccccc1[PH+]=S.
What is the InChIKey of (2-methylphenyl)-sulfanylidenephosphanium?
The InChIKey is OTXSQDAYMAQOAC-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H7PS/c1-6-4-2-3-5-7(6)8-9/h2-5H,1H3/p+1.
What are the key properties of (2-methylphenyl)-sulfanylidenephosphanium?
(2-methylphenyl)-sulfanylidenephosphanium has a molecular weight of 155.18 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)-sulfanylidenephosphanium is sourced from PubChem (CID 151388487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).