(2-benzylphenyl)-oxosulfanium

C13H11OS+ — CID 174505158

IUPAC(2-benzylphenyl)-oxosulfanium
SMILESO=[S+]c1ccccc1Cc1ccccc1
InChIInChI=1S/C13H11OS/c14-15-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9H,10H2/q+1
InChIKeyMEIVKDUDYOGVPZ-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.06
Rot. Bonds3

About (2-benzylphenyl)-oxosulfanium

(2-benzylphenyl)-oxosulfanium (PubChem CID 174505158) has the molecular formula C13H11OS+ and a molecular weight of 215.30 g/mol. Its IUPAC name is (2-benzylphenyl)-oxosulfanium.

Molecular Properties

Compound Name(2-benzylphenyl)-oxosulfanium
PubChem CID174505158
Molecular FormulaC13H11OS+
Molecular Weight215.30 g/mol
Exact Mass215.05
IUPAC Name(2-benzylphenyl)-oxosulfanium
SMILESO=[S+]c1ccccc1Cc1ccccc1
InChIInChI=1S/C13H11OS/c14-15-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9H,10H2/q+1
InChIKeyMEIVKDUDYOGVPZ-UHFFFAOYSA-N
XLogP3.06
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-benzylphenyl)-oxosulfanium?
The IUPAC name of (2-benzylphenyl)-oxosulfanium (CID 174505158) is (2-benzylphenyl)-oxosulfanium.
What is the SMILES notation for (2-benzylphenyl)-oxosulfanium?
The canonical SMILES for (2-benzylphenyl)-oxosulfanium is O=[S+]c1ccccc1Cc1ccccc1.
What is the InChIKey of (2-benzylphenyl)-oxosulfanium?
The InChIKey is MEIVKDUDYOGVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11OS/c14-15-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9H,10H2/q+1.
What are the key properties of (2-benzylphenyl)-oxosulfanium?
(2-benzylphenyl)-oxosulfanium has a molecular weight of 215.30 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzylphenyl)-oxosulfanium is sourced from PubChem (CID 174505158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).