CID 66690055

C12H10Na2S — CID 66690055

IUPAC—
SMILES[Na].[Na].c1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C12H10S.2Na/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;/h1-10H;;
InChIKeyGEDFVWZEMJCEEQ-UHFFFAOYSA-N
MW232.26 g/mol
LogP3.08
Rot. Bonds2

About CID 66690055

CID 66690055 (PubChem CID 66690055) has the molecular formula C12H10Na2S and a molecular weight of 232.26 g/mol.

Molecular Properties

Compound NameCID 66690055
PubChem CID66690055
Molecular FormulaC12H10Na2S
Molecular Weight232.26 g/mol
Exact Mass232.03
IUPAC Name—
SMILES[Na].[Na].c1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C12H10S.2Na/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;/h1-10H;;
InChIKeyGEDFVWZEMJCEEQ-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 66690055?
The IUPAC name of CID 66690055 (CID 66690055) is not available.
What is the SMILES notation for CID 66690055?
The canonical SMILES for CID 66690055 is [Na].[Na].c1ccc(Sc2ccccc2)cc1.
What is the InChIKey of CID 66690055?
The InChIKey is GEDFVWZEMJCEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10S.2Na/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;/h1-10H;;.
What are the key properties of CID 66690055?
CID 66690055 has a molecular weight of 232.26 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 66690055 is sourced from PubChem (CID 66690055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).