anthracen-1-ylsulfanium

C14H11S+ — CID 23128637

IUPACanthracen-1-ylsulfanium
SMILES[SH2+]c1cccc2cc3ccccc3cc12
InChIInChI=1S/C14H10S/c15-14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12)14/h1-9,15H/p+1
InChIKeyHCQYOADEQHBNDH-UHFFFAOYSA-O
MW211.31 g/mol
LogP3.36
Rot. Bonds

About anthracen-1-ylsulfanium

anthracen-1-ylsulfanium (PubChem CID 23128637) has the molecular formula C14H11S+ and a molecular weight of 211.31 g/mol. Its IUPAC name is anthracen-1-ylsulfanium.

Molecular Properties

Compound Nameanthracen-1-ylsulfanium
PubChem CID23128637
Molecular FormulaC14H11S+
Molecular Weight211.31 g/mol
Exact Mass211.06
IUPAC Nameanthracen-1-ylsulfanium
SMILES[SH2+]c1cccc2cc3ccccc3cc12
InChIInChI=1S/C14H10S/c15-14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12)14/h1-9,15H/p+1
InChIKeyHCQYOADEQHBNDH-UHFFFAOYSA-O
XLogP3.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of anthracen-1-ylsulfanium?
The IUPAC name of anthracen-1-ylsulfanium (CID 23128637) is anthracen-1-ylsulfanium.
What is the SMILES notation for anthracen-1-ylsulfanium?
The canonical SMILES for anthracen-1-ylsulfanium is [SH2+]c1cccc2cc3ccccc3cc12.
What is the InChIKey of anthracen-1-ylsulfanium?
The InChIKey is HCQYOADEQHBNDH-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H10S/c15-14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12)14/h1-9,15H/p+1.
What are the key properties of anthracen-1-ylsulfanium?
anthracen-1-ylsulfanium has a molecular weight of 211.31 g/mol, XLogP of 3.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for anthracen-1-ylsulfanium is sourced from PubChem (CID 23128637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).