CID 11485220

C12H8S2+ — CID 11485220

IUPAC—
SMILESc1ccc2c(c1)Sc1ccccc1[S+]2
InChIInChI=1S/C12H8S2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8H/q+1
InChIKeyWXFHHQPTLIZKOT-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.65
Rot. Bonds

About CID 11485220

CID 11485220 (PubChem CID 11485220) has the molecular formula C12H8S2+ and a molecular weight of 216.33 g/mol.

Molecular Properties

Compound NameCID 11485220
PubChem CID11485220
Molecular FormulaC12H8S2+
Molecular Weight216.33 g/mol
Exact Mass216.01
IUPAC Name—
SMILESc1ccc2c(c1)Sc1ccccc1[S+]2
InChIInChI=1S/C12H8S2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8H/q+1
InChIKeyWXFHHQPTLIZKOT-UHFFFAOYSA-N
XLogP3.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 CID 11485220?
The IUPAC name of CID 11485220 (CID 11485220) is not available.
What is the SMILES notation for CID 11485220?
The canonical SMILES for CID 11485220 is c1ccc2c(c1)Sc1ccccc1[S+]2.
What is the InChIKey of CID 11485220?
The InChIKey is WXFHHQPTLIZKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8S2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8H/q+1.
What are the key properties of CID 11485220?
CID 11485220 has a molecular weight of 216.33 g/mol, XLogP of 3.65, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11485220 is sourced from PubChem (CID 11485220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).