CID 160621349

C6H4NaS — CID 160621349

IUPAC—
SMILES[Na].c1ccc2c(c1)S2
InChIInChI=1S/C6H4S.Na/c1-2-4-6-5(3-1)7-6;/h1-4H;
InChIKeyRGSXOCPUQUUTBY-UHFFFAOYSA-N
MW131.15 g/mol
LogP1.77
Rot. Bonds

About CID 160621349

CID 160621349 (PubChem CID 160621349) has the molecular formula C6H4NaS and a molecular weight of 131.15 g/mol.

Molecular Properties

Compound NameCID 160621349
PubChem CID160621349
Molecular FormulaC6H4NaS
Molecular Weight131.15 g/mol
Exact Mass130.99
IUPAC Name—
SMILES[Na].c1ccc2c(c1)S2
InChIInChI=1S/C6H4S.Na/c1-2-4-6-5(3-1)7-6;/h1-4H;
InChIKeyRGSXOCPUQUUTBY-UHFFFAOYSA-N
XLogP1.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.15
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 160621349?
The IUPAC name of CID 160621349 (CID 160621349) is not available.
What is the SMILES notation for CID 160621349?
The canonical SMILES for CID 160621349 is [Na].c1ccc2c(c1)S2.
What is the InChIKey of CID 160621349?
The InChIKey is RGSXOCPUQUUTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4S.Na/c1-2-4-6-5(3-1)7-6;/h1-4H;.
What are the key properties of CID 160621349?
CID 160621349 has a molecular weight of 131.15 g/mol, XLogP of 1.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160621349 is sourced from PubChem (CID 160621349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).